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Regularized orbital-optimized second-order perturbation theory

The Journal of chemical physics, 2013-12, Vol.139 (24), p.244109-244109

2013

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Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states

The Journal of chemical physics, 2019-12, Vol.151 (21), p.214103-214103

2019

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Pair 2-electron reduced density matrix theory using localized orbitals

The Journal of chemical physics, 2017-08, Vol.147 (8), p.084101-084101

2017

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Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices

The Journal of chemical physics, 2019-07, Vol.151 (3), p.034111-034111

2019

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The spin-flip extended single excitation configuration interaction method

The Journal of chemical physics, 2008-08, Vol.129 (6), p.064104-064104-12

2008

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Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur cluster

The Journal of chemical physics, 2018-10, Vol.149 (14), p.144103-144103

2018

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A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breaking

The Journal of chemical physics, 2012-09, Vol.137 (11), p.114103-114103

2012

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Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet

The Journal of chemical physics, 2018-12, Vol.149 (24), p.244121-244121

2018

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Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer

The Journal of chemical physics, 2017-07, Vol.147 (2), p.024107-024107

2017

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Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024104-024104

2015

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Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices

The Journal of chemical physics, 2015-02, Vol.142 (5), p.051102-051102

2015

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Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states

The Journal of chemical physics, 2019-12, Vol.151 (21)

2019

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Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

The Journal of chemical physics, 2009-01, Vol.130 (4), p.044103-044103

2009

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A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree Fock

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094112-094112

2015

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Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084103-084103

2009

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On the nature of electron correlation in C60

The Journal of chemical physics, 2011-11, Vol.135 (19), p.194306-194306

2011

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Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

The Journal of chemical physics, 2008-04, Vol.128 (16), p.164106-164106-11

2008

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On the nature of electron correlation in C 60

The Journal of chemical physics, 2011-11, Vol.135 (19), p.194306-194306-5

2011

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A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

The Journal of chemical physics, 2015-03, Vol.142 (9)

2015

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Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

The Journal of chemical physics, 2015-01, Vol.142 (2)

2015

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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

The Journal of chemical physics, 2000-09, Vol.113 (9), p.3548-3560

2000

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Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models

The Journal of chemical physics, 2000-10, Vol.113 (16), p.6509-6527

2000

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Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

The Journal of chemical physics, 1998-12, Vol.109 (24), p.10669-10678

1998

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Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4

The Journal of chemical physics, 1998-09, Vol.109 (11), p.4171-4181

1998

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Tractable spin-pure methods for bond breaking: Local many-electronspin-vector sets and an approximate valence bond model

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084103-084103-19

2009

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Regularized orbital-optimized second-order perturbation theory

Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states

Pair 2-electron reduced density matrix theory using localized orbitals

Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices

The spin-flip extended single excitation configuration interaction method

Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur cluster

A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breaking

Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet

Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer

Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory

Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices

Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree Fock

Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model

On the nature of electron correlation in C60

Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

On the nature of electron correlation in C 60

A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree Fock

Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model

Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models

Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4

Tractable spin-pure methods for bond breaking: Local many-electronspin-vector sets and an approximate valence bond model

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