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A Critical Assessment of Coupled Cluster Method in Quantum Chemistry
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book
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January 1999 |
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Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
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journal
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October 2002 |
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Quasi-variational coupled cluster theory
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journal
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February 2012 |
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Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the N2 triple bond
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journal
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October 2000 |
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Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equations
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journal
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January 1991 |
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Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule
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journal
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January 1972 |
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Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches
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journal
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April 1999 |
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The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
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journal
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May 1993 |
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Hybrid coupled cluster methods: Combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples
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journal
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May 2012 |
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Independent-cluster parametrizations of wave functions in model field theories. I. Introduction to their holomorphic representations
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journal
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April 1991 |
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Benchmark Quasi-Variational Coupled Cluster Calculations of Multiple Bond Breaking
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journal
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July 2012 |
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A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking potential energy surfaces
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journal
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March 2010 |
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Size-consistent wave functions for bond-breaking: the equation-of-motion spin-flip model
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journal
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April 2001 |
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Cluster expansion of the wavefunction. Excited states
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journal
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November 1978 |
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Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH + , CO, and H 2 O
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journal
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September 1990 |
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Combined coupled-cluster and many-body perturbation theories
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journal
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January 2004 |
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Biorthogonal method of moments of coupled-cluster equations: Alternative derivation, further considerations, and application to a model magnetic system
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journal
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January 2008 |
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New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states
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journal
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January 2004 |
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Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules
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journal
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June 2005 |
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Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
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journal
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July 2004 |
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Advances in electronic structure theory
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book
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January 2005 |
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Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt
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journal
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October 2005 |
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Breaking bonds with the state‐selective multireference coupled‐cluster method employing the single‐reference formalism
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journal
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January 1995 |
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Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations
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journal
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August 2005 |
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Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions
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journal
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May 2013 |
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Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations
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journal
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August 2005 |
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The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt
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journal
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July 2001 |
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The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods
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journal
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December 2006 |
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Convergence of the coupled-cluster singles, doubles and triples method
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journal
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April 1988 |
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Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
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journal
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March 2001 |
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Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods
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journal
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June 2012 |
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Coupled-cluster method tailored by configuration interaction
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journal
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August 2005 |
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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
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journal
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September 2010 |
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In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories
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book
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October 2000 |
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The full CCSDT model for molecular electronic structure
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journal
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June 1987 |
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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
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journal
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December 1966 |
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Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study
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journal
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September 2002 |
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Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water
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journal
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April 1981 |
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Higher-order equation-of-motion coupled-cluster methods
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journal
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January 2004 |
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A study of Be 2 with many‐body perturbation theory and a coupled‐cluster method including triple excitations
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journal
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May 1984 |
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Noniterative energy corrections through fifth-order to the coupled cluster singles and doubles method
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journal
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April 1998 |
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The ‘tailored’ CCSD(T) description of the automerization of cyclobutadiene
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journal
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January 2011 |
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Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC( P ; Q ) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical Systems
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journal
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September 2012 |
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Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies
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journal
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May 2011 |
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Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory
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journal
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February 2013 |
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Application of renormalized coupled-cluster methods to potential function of water
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journal
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May 2007 |
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On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
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book
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January 2007 |
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C2V Insertion pathway for BeH2: A test problem for the coupled-cluster single and double excitation model
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journal
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March 1983 |
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A coupled cluster approach with a hybrid treatment of connected triple excitations: Implementation and applications for open-shell systems
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journal
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December 2010 |
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Active-space coupled-cluster methods
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journal
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November 2010 |
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The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
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journal
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July 2000 |
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A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications
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journal
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April 1999 |
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Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations
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journal
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July 2006 |
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Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches
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journal
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November 2009 |
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A second-order perturbative correction to the coupled-cluster singles and doubles method: CCSD(2)
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journal
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August 2001 |
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New coupled cluster approaches based on the unrestricted Hartree–Fock reference for treating molecules with multireference character
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journal
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January 2011 |
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The influence of polarization functions on molecular orbital hydrogenation energies
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journal
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January 1973 |
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Coupled-cluster theory in quantum chemistry
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journal
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February 2007 |
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Improving upon CCSD(TQf) for potential energy surfaces: ΛCCSD(TQf) models
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journal
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September 2010 |
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Multireference coupled‐cluster method using a single‐reference formalism
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journal
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January 1991 |
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Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
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journal
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December 2002 |
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Relaxed active space: Fixing tailored-CC with high order coupled cluster. II
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journal
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February 2014 |
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State‐selective multireference coupled‐cluster theory employing the single‐reference formalism: Implementation and application to the H 8 model system
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journal
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April 1994 |
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Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule
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journal
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October 1999 |
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Coupled cluster response functions
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journal
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September 1990 |
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Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals
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journal
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February 2006 |
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Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems
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journal
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August 2012 |
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An efficient way to include connected quadruple contributions into the coupled cluster method
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journal
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June 1998 |
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Alternative perturbation theories for triple excitations in coupled-cluster theory
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journal
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November 2010 |
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Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces
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journal
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January 2008 |
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A new implementation of the full CCSDT model for molecular electronic structure
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journal
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November 1988 |
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New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism
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journal
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August 2001 |
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Estimation of magnetic exchange coupling constants in bridged dimer complexes
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journal
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July 1992 |
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The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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journal
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December 1989 |
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Equation-of-motion coupled cluster perturbation theory revisited
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journal
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May 2014 |
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Cluster expansion of the wavefunction. Pseduo-orbital theory applied to spin correlation
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journal
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May 1977 |
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Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives
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journal
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January 2008 |
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The quadratic coupled cluster doubles model
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journal
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November 2000 |
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Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states
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journal
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June 2007 |
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Computing coupled-cluster wave functions with arbitrary excitations
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journal
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July 2000 |
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Towards a full CCSDT model for electron correlation
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journal
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October 1985 |
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Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results
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journal
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October 2001 |
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A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism
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journal
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June 1979 |
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Relaxed active space: Fixing tailored-CC with high order coupled cluster. I
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journal
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December 2012 |
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Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals
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journal
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February 2006 |
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A fifth-order perturbation comparison of electron correlation theories
|
journal
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May 1989 |
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Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model
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journal
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September 2000 |
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Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First‐Row Atoms
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journal
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October 1970 |
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Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study †
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journal
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November 2007 |
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High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states
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journal
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August 2000 |
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Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions
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journal
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May 1996 |
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A coupled cluster approach with triple excitations
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journal
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December 1984 |
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Combining active-space coupled-cluster methods with moment energy corrections via the CC( P ; Q ) methodology, with benchmark calculations for biradical transition states
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journal
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April 2012 |
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Some aspects of the time-dependent coupled-cluster approach to dynamic response functions
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journal
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September 1983 |
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Towards a full CCSDT model for electron correlation. CCSDT-n models
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journal
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February 1987 |
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An overview of coupled cluster theory and its applications in physics
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journal
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January 1991 |
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Quadratic Coupled-Cluster Doubles: Implementation and Assessment of Perfect Pairing Optimized Geometries †
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journal
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August 2002 |
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Breaking multiple covalent bonds with Hartree–Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations
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journal
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January 2012 |
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Extensive generalization of renormalized coupled-cluster methods
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journal
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February 2005 |
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Benchmark studies of variational, unitary and extended coupled cluster methods
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journal
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December 2010 |
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The coupled‐cluster single, double, triple, and quadruple excitation method
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journal
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September 1992 |
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Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
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journal
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December 2011 |
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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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journal
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March 1972 |
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The implementation of the multireference coupled‐cluster method based on the single‐reference formalism
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journal
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March 1992 |
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Tailored coupled cluster singles and doubles method applied to calculations on molecular structure and harmonic vibrational frequencies of ozone
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journal
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March 2006 |
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On the convergence of perturbative coupled cluster triples expansions: Error cancellations in the CCSD(T) model and the importance of amplitude relaxation
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journal
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January 2015 |
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Variational principles and linked-cluster exp S expansions for static and dynamic many-body problems
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journal
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December 1983 |
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Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better
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journal
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June 2011 |
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Multireference Nature of Chemistry: The Coupled-Cluster View
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journal
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December 2011 |
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The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach
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journal
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November 2000 |
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A Lagrangian framework for deriving triples and quadruples corrections to the CCSD energy
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journal
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February 2014 |
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Approximate variational coupled cluster theory
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journal
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July 2011 |
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Why CCSD(T) works: a different perspective
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journal
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December 1997 |
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Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method
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journal
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November 2001 |
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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journal
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January 1989 |
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The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree–Fock reference
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journal
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January 2011 |
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Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei
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journal
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March 2007 |
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General atomic and molecular electronic structure system
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journal
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November 1993 |
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Full CI calculations on BH, H2O, NH3, and HF
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journal
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March 1983 |
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Perturbative corrections to the equation-of-motion spin–flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals
|
journal
|
February 2002 |
|
A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism
|
journal
|
August 1993 |
|
Calculation of excited-state properties using general coupled-cluster and configuration-interaction models
|
journal
|
November 2004 |
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A second-order correction to singles and doubles coupled-cluster methods based on a perturbative expansion of a similarity-transformed Hamiltonian
|
journal
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June 2000 |
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On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2
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journal
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August 2008 |
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Coupled‐cluster method truncated at quadruples
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journal
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November 1991 |
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Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
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journal
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December 2005 |