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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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Iterative Configuration Interaction with Selection
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journal
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February 2020 |
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An efficient matrix product operator representation of the quantum chemical Hamiltonian
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journal
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December 2015 |
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The Quest for Highly Accurate Excitation Energies: A Computational Perspective
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journal
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March 2020 |
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Approximate account of the connected quadruply excited clusters in the coupled-pair many-electron theory
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journal
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November 1984 |
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Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method
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journal
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March 2020 |
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Direct configuration interaction and multiconfigurational self-consistent-field method for multiple active spaces with variable occupations. II. Application to oxoMn(salen) and N2O4
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journal
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November 2003 |
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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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Investigation of an asymmetric triple-excitation correction for coupled-cluster energies
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journal
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January 1998 |
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A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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journal
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February 1982 |
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High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons
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journal
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March 2021 |
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Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy
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journal
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October 2017 |
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Recent developments in the general atomic and molecular electronic structure system
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journal
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April 2020 |
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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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The adaptive shift method in full configuration interaction quantum Monte Carlo: Development and applications
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journal
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December 2020 |
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Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
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journal
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March 2002 |
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Incremental full configuration interaction
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journal
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March 2017 |
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Population control bias and importance sampling in full configuration interaction quantum Monte Carlo
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journal
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April 2021 |
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A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks
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journal
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June 2018 |
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Valence bond corrected single reference coupled cluster approach: I. General formalism
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journal
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September 1994 |
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Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer
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journal
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January 2020 |
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Full potential energy curve for N2 by the reduced multireference coupled-cluster method
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journal
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August 2008 |
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Reference Energies for Double Excitations
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journal
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January 2019 |
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Density matrix formulation for quantum renormalization groups
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journal
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November 1992 |
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The Shape of Full Configuration Interaction to Come
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journal
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December 2020 |
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Complete active space coupled-cluster method. Extension of single-reference coupled-cluster method using the CASSCF wavefunction
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journal
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January 1994 |
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A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules
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journal
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January 2020 |
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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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Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources
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journal
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May 2021 |
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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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Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, F2, and H2O
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journal
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January 1998 |
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Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde
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journal
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December 1969 |
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Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
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journal
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August 2019 |
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Reduced multireference CCSD method: An effective approach to quasidegenerate states
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journal
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October 1997 |
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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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Perspective: Multireference coupled cluster theories of dynamical electron correlation
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journal
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July 2018 |
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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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Combining active-space coupled-cluster approaches with moment energy corrections via the CC( P ; Q ) methodology: connected quadruple excitations
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journal
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January 2017 |
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Perturbatively selected CI as an optimal source for externally corrected CCSD
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journal
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June 1999 |
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Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
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journal
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January 2010 |
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Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
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journal
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March 2017 |
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Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
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journal
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April 2016 |
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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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Reduced multireference coupled cluster method: Ro-vibrational spectra of N2
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journal
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December 2000 |
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Cluster expansion analysis for delocalized systems
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journal
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March 1969 |
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The linked singles and doubles model: An approximate theory of electron correlation based on the coupled‐cluster ansatz
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journal
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October 1982 |
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Active-space coupled-cluster methods
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journal
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November 2010 |
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On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model
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journal
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January 1991 |
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A deterministic alternative to the full configuration interaction quantum Monte Carlo method
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journal
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July 2016 |
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The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
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journal
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January 2020 |
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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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Dissociation of N2 triple bond: a reduced multireference CCSD study
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journal
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April 1998 |
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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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Bound states of a many-particle system
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journal
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June 1958 |
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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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Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
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journal
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October 2018 |
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Quantum chemistry using the density matrix renormalization group
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journal
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October 2001 |
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Identification of deadwood in configuration spaces through general direct configuration interaction
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journal
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October 2001 |
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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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Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction
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journal
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February 2018 |
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Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
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journal
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April 2019 |
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Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods
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journal
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November 2008 |
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Incremental treatments of the full configuration interaction problem
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journal
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February 2021 |
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Approximate account of connected quadruply excited clusters in single-reference coupled-cluster theory via cluster analysis of the projected unrestricted Hartree-Fock wave function
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journal
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August 1996 |
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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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Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method
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journal
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September 2020 |
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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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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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Strong correlation in incremental full configuration interaction
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journal
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June 2017 |
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Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime
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journal
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August 2018 |
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Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC( P ; Q ) formalism
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journal
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September 2020 |
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Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
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journal
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January 2009 |
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Coupled Cluster Externally Corrected by Adaptive Configuration Interaction
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journal
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December 2020 |
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The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function
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journal
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March 2015 |
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Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals
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journal
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May 2020 |
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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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The performance of CIPSI on the ground state electronic energy of benzene
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journal
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November 2020 |
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A fifth-order perturbation comparison of electron correlation theories
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journal
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May 1989 |
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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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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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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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Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
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journal
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March 2016 |
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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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Fast semistochastic heat-bath configuration interaction
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journal
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December 2018 |
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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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Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems
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journal
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August 1990 |
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Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth‐order wavefunctions
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journal
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June 1973 |
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Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples
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journal
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May 2006 |
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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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Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
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journal
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July 2017 |
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Correlation energy extrapolation by intrinsic scaling. II. The water and the nitrogen molecule
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journal
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January 2004 |
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Single-reference CCSD approach employing three- and four-body CAS SCF corrections: A preliminary study of a simple model
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journal
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January 1997 |
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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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Ab initio quantum chemistry using the density matrix renormalization group
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journal
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March 1999 |
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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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Individualized configuration selection in CI calculations with subsequent energy extrapolation
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journal
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August 1974 |
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Correlation energy extrapolation by intrinsic scaling. I. Method and application to the neon atom
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journal
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January 2004 |
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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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Perturbation theory of large quantum systems
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journal
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Studies in Configuration Interaction: The First-Row Diatomic Hydrides
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journal
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The Ground State Electronic Energy of Benzene
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journal
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October 2020 |
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Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms
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journal
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July 2016 |
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Application of the CC( P ; Q ) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer
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journal
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January 2018 |
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Direct configuration interaction and multiconfigurational self-consistent-field method for multiple active spaces with variable occupations. I. Method
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journal
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November 2003 |
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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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Reduced multireference coupled cluster method IV: open-shell systems
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journal
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August 2000 |
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Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling
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journal
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August 2016 |
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The Density Matrix Renormalization Group in Quantum Chemistry
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journal
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May 2011 |
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iCI: Iterative CI toward full CI
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journal
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January 2016 |
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Correlation energy extrapolation by intrinsic scaling. III. Compact wave functions
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journal
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January 2004 |
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Electronic correlation in cyclic polyenes. Performance of coupled-cluster methods with higher excitations
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journal
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January 2002 |
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Unbiasing the initiator approximation in full configuration interaction quantum Monte Carlo
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journal
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December 2019 |
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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
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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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Application of the coupled-cluster CC( P ; Q ) approaches to the magnesium dimer
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journal
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January 2019 |
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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 |
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Externally and internally corrected coupled cluster approaches: an overview
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journal
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September 2016 |
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Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
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journal
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November 2017 |