Coupled-cluster method in Fock space. II. Brueckner-Hartree-Fock method
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August 1985 |
First-Order Dyson Coordinates and Geometry
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May 2013 |
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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September 1990 |
Coupled cluster response functions
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September 1990 |
An extension of the coupled cluster formalism to excited states (I)
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January 1981 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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February 1982 |
Quantum chemistry in Fock space. II. Effective Hamiltonians in Fock space
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November 1983 |
Extended similarity transformed equation-of-motion coupled cluster theory (extended-STEOM-CC): Applications to doubly excited states and transition metal compounds
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July 2000 |
An iteration method for the solution of the eigenvalue problem of linear differential and integral operators
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October 1950 |
Single-reference theories of molecular excited states with single and double substitutions
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October 1993 |
Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
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November 1978 |
Electron correlation theories and their application to the study of simple reaction potential surfaces
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November 1978 |
Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method
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May 1995 |
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
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June 2012 |
Equations of explicitly-correlated coupled-cluster methods
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January 2008 |
Sur la théorie des perturbations des états liés
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March 1958 |
Higher-order equation-of-motion coupled-cluster methods for electron attachment
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April 2007 |
First-principles theories for anharmonic lattice vibrations
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July 2010 |
Time‐dependent coupled cluster approach: Excitation energy calculation using an orthogonally spin‐adapted formalism
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August 1986 |
Coupled-cluster method in Fock space. I. General formalism
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August 1985 |
Equation-of-motion coupled cluster method with full inclusion of the connected triple excitations for ionized states: IP-EOM-CCSDT
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January 2003 |
Properties of Crystalline Argon and Neon in the Self-Consistent Phonon Approximation
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January 1968 |
A driven similarity renormalization group approach to quantum many-body problems
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August 2014 |
One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms
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July 2017 |
The linked-cluster theorem in the open-shell coupled-cluster theory for incomplete model spaces
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April 1986 |
Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
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journal
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November 1997 |
Theory of the Self-Consistent Harmonic Approximation with Application to Solid Neon
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July 1966 |
Application of cluster expansion techniques to open shells: Calculation of difference energies
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May 1984 |
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
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February 2017 |
Quantum chemistry in Fock space. III. Particle‐hole formalism
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journal
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January 1984 |
The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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December 1989 |
A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
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April 1997 |
Stochastic many-body perturbation theory for anharmonic molecular vibrations
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August 2014 |
Calculation of properties with the coupled-cluster method
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January 1977 |
Time‐dependent coupled cluster approach to multimode vibronic dynamics
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August 1996 |
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems
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November 2017 |
Equation of motion coupled cluster method for electron attachment
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March 1995 |
Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B Molecule
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January 1972 |
Normal-ordered second-quantized Hamiltonian for molecular vibrations
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November 2014 |
General-Order Many-Body Green’s Function Method
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March 2015 |
Gradients for the similarity transformed equation-of-motion coupled-cluster method
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July 1999 |
An efficient and near linear scaling pair natural orbital based local coupled cluster method
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January 2013 |
A simple scheme for the direct calculation of ionization potentials with coupled-cluster theory that exploits established excitation energy methods
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November 1999 |
Second-order many-body perturbation expansions of vibrational Dyson self-energies
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July 2013 |
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
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March 2009 |
The Determination of Energies and Wavefunctions with Full Electronic Correlation
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April 1969 |
A linear response, coupled-cluster theory for excitation energy
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March 1984 |
A Calculation for the Energies and Wavefunctions for States of Neon with Full Electronic Correlation Accuracy
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April 1969 |
Analytic energy derivatives for ionized states described by the equation‐of‐motion coupled cluster method
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November 1994 |
A coupled-cluster approach to the many-body perturbation theory for open-shell systems
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March 1978 |
Dynamical and optical properties of the ethylene crystal: Self‐consistent phonon calculations using an ‘‘ a b i n i t i o ’’ intermolecular potential
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August 1981 |
Many – Body Methods in Chemistry and Physics
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book
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January 2009 |
Jacobian-free Newton–Krylov methods: a survey of approaches and applications
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January 2004 |
On the connectivity criteria in the open-shell coupled-cluster theory for general model spaces
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July 1987 |
A multireference time-dependent coupled cluster study of the intramolecular vibrational relaxation process
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July 1995 |
Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest π-π* singlet and triplet energies and the first ionization potential of trans-butadiene
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April 1977 |
The use of a model in anharmonic lattice dynamics
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January 1958 |
Theoretical foundations of purely semiempirical quantum chemistry
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March 1974 |
A second quantization formulation of multimode dynamics
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February 2004 |
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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May 1993 |
Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories
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November 2003 |
Coupled-cluster method in Fock space. IV. Calculation of expectation values and transition moments
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March 1988 |
Vibrational coupled cluster theory with full two-mode and approximate three-mode couplings: The VCC[2pt3] model
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July 2009 |
Higher-order diagrammatic vibrational coupled-cluster theory
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October 2015 |
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
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January 2000 |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
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September 2010 |
Equation-of-motion coupled cluster method with full inclusion of connected triple excitations for electron-attached states: EA-EOM-CCSDT
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July 2003 |
Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies
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October 2008 |
Calculation of Dipole Transition Matrix Elements and Expectation Values by Vibrational Coupled Cluster Method
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journal
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August 2010 |
Time‐dependent coupled cluster method: A new approach to the calculation of molecular absorption spectra
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June 1988 |
Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
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February 2014 |
Vibrational excitation energies from vibrational coupled cluster response theory
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May 2007 |
The eigenvalue-independent partitioning technique in Fock space: An alternative route to open-shell coupled-cluster theory for incomplete model spaces
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journal
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February 1989 |
Towards a pair natural orbital coupled cluster method for excited states
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journal
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July 2016 |
Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
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journal
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January 2009 |
Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin
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journal
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April 1997 |
Quantum chemistry in Fock space. I. The universal wave and energy operators
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journal
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September 1982 |
Thermodynamic limit and size-consistent design
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June 2011 |
Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function
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March 1989 |
Size-extensive vibrational self-consistent field method
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journal
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October 2011 |
Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller–Plesset perturbation theory
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journal
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November 2016 |
Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials
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journal
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May 1981 |
Higher-order equation-of-motion coupled-cluster methods for ionization processes
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journal
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August 2006 |
Vibrational coupled cluster theory
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journal
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February 2004 |
Vibrational multi-reference coupled cluster theory in bosonic representation
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journal
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September 2012 |
A dressing for the matrix elements of the singles and doubles equation‐of‐motion coupled‐cluster method that recovers additive separability of excitation energies
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journal
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May 1995 |
The time-dependent coupled cluster approach to molecular photodissociation dynamics
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journal
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September 1994 |
Many‐body similarity transformations generated by normal ordered exponential excitation operators
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journal
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February 1996 |
Coupled-cluster method in Fock space. III. On similarity transformation of operators in Fock space
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journal
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March 1988 |
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 |
An extension of the coupled cluster formalism to excited states
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journal
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January 1981 |
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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journal
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January 1975 |
Similarity transformed equation of motion coupled-cluster study of excited states of selected azabenzenes
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journal
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March 1999 |
Similarity transformed equation of motion coupled cluster theory revisited: a benchmark study of valence excited states
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journal
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October 2013 |
Coupled cluster description of anharmonic molecular vibrations. Application to O3 and SO2
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journal
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January 1994 |
Vibrational coupled cluster response theory: A general implementation
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journal
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February 2011 |
Time Dependent Coupled Cluster Approach to Resonance Raman Excitation Profiles from General Anharmonic Surfaces
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May 2002 |
Diagrammatic theories of anharmonic molecular vibrations
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December 2014 |
Electron propagator theory: an approach to prediction and interpretation in quantum chemistry: Electron propagator theory
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journal
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September 2012 |
Atomic Many-Body Theory
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book
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January 1982 |
Similarity transformed equation of motion coupled cluster theory revisited: a benchmark study of valence excited states
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text
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January 2014 |
A driven similarity renormalization group approach to quantum many-body problems
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text
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January 2014 |