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Perspective: Multireference coupled cluster theories of dynamical electron correlation

The Journal of chemical physics, 2018-07, Vol.149 (3), p.030901-030901

Evangelista, Francesco A.

2018

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Adaptive multiconfigurational wave functions

The Journal of chemical physics, 2014-03, Vol.140 (12), p.124114-124114

Evangelista, Francesco A

2014

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A driven similarity renormalization group approach to quantum many-body problems

The Journal of chemical physics, 2014-08, Vol.141 (5), p.054109-054109

Evangelista, Francesco A

2014

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Automatic derivation of many-body theories based on general Fermi vacua

The Journal of chemical physics, 2022-08, Vol.157 (6), p.064111-064111

Evangelista, Francesco A.

2022

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Exact parameterization of fermionic wave functions via unitary coupled cluster theory

The Journal of chemical physics, 2019-12, Vol.151 (24), p.244112-244112

2019

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Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better

The Journal of chemical physics, 2011-06, Vol.134 (22), p.224102-224102-13

Evangelista, Francesco A.

2011

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Driven similarity renormalization group for excited states: A state-averaged perturbation theory

The Journal of chemical physics, 2018-03, Vol.148 (12), p.124106-124106

2018

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An orbital-invariant internally contracted multireference coupled cluster approach

The Journal of chemical physics, 2011-03, Vol.134 (11), p.114102-114102-15

2011

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Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory

Journal of chemical theory and computation, 2021-12, Vol.17 (12), p.7666-7681

2021

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Correlating AGP on a quantum computer

Quantum science and technology, 2021-01, Vol.6 (1), p.14004

2021

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Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

The Journal of chemical physics, 2019-04, Vol.150 (14), p.144107-144107

2019

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A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes

Journal of chemical theory and computation, 2018-12, Vol.14 (12), p.6295-6305

2018

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An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory

The Journal of chemical physics, 2016-05, Vol.144 (20), p.204111-204111

2016

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Mapping the 3D orientation of piconewton integrin traction forces

Nature methods, 2018-02, Vol.15 (2), p.115-118

2018

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Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

The Journal of chemical physics, 2007-07, Vol.127 (2), p.024102-024102-17

2007

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Psi4: an open-source ab initio electronic structure program

Wiley interdisciplinary reviews. Computational molecular science, 2012-07, Vol.2 (4), p.556-565

2012

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A sequential transformation approach to the internally contracted multireference coupled cluster method

The Journal of chemical physics, 2012-05, Vol.136 (20), p.204108-204108-11

2012

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Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

The Journal of chemical physics, 2016-04, Vol.144 (16), p.161106-161106

2016

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Perturbative triples corrections in state-specific multireference coupled cluster theory

The Journal of chemical physics, 2010-02, Vol.132 (7), p.074107-074107

2010

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A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons

Journal of chemical theory and computation, 2020-04, Vol.16 (4), p.2236-2245

2020

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CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations

Journal of chemical theory and computation, 2023-02, Vol.19 (3), p.822-836

2023

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Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics

The Journal of chemical physics, 2021-09, Vol.155 (11), p.114111-114111

2021

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A study of core-excited states of organic molecules computed with the generalized active space driven similarity renormalization group

The Journal of chemical physics, 2023-03, Vol.158 (12), p.124112-124112

2023

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Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis

Journal of chemical theory and computation, 2015-05, Vol.11 (5), p.2097-2108

2015

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Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization Group

Annual review of physical chemistry, 2019-06, Vol.70 (1), p.245-273

2019

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Perspective: Multireference coupled cluster theories of dynamical electron correlation

Adaptive multiconfigurational wave functions

A driven similarity renormalization group approach to quantum many-body problems

Automatic derivation of many-body theories based on general Fermi vacua

Exact parameterization of fermionic wave functions via unitary coupled cluster theory

Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better

Driven similarity renormalization group for excited states: A state-averaged perturbation theory

An orbital-invariant internally contracted multireference coupled cluster approach

Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory

Correlating AGP on a quantum computer

Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes

An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory

Mapping the 3D orientation of piconewton integrin traction forces

Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

Psi4: an open-source ab initio electronic structure program

A sequential transformation approach to the internally contracted multireference coupled cluster method

Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

Perturbative triples corrections in state-specific multireference coupled cluster theory

A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons

CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations

Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics

A study of core-excited states of organic molecules computed with the generalized active space driven similarity renormalization group

Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis

Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization Group

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