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The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state

The Journal of chemical physics, 2013-11, Vol.139 (19), p.194105-194105

Neuscamman, Eric

2013

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Improved Optimization for the Cluster Jastrow Antisymmetric Geminal Power and Tests on Triple-Bond Dissociations

Journal of chemical theory and computation, 2016-07, Vol.12 (7), p.3149-3159

Neuscamman, Eric

2016

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Communication: Variation after response in quantum Monte Carlo

The Journal of chemical physics, 2016-08, Vol.145 (8), p.081103-081103

Neuscamman, Eric

2016

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Communication: a Jastrow factor coupled cluster theory for weak and strong electron correlation

The Journal of chemical physics, 2013-11, Vol.139 (18), p.181101-181101

Neuscamman, Eric

2013

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An Efficient Variational Principle for the Direct Optimization of Excited States

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3436-3440

2016

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Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (27), p.14491-1451

2019

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Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

The Journal of chemical physics, 2010-01, Vol.132 (2), p.024105-024105-9

2010

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Size consistency error in the antisymmetric geminal power wave function can be completely removed

Physical review letters, 2012-11, Vol.109 (20), p.203001-203001, Article 203001

Neuscamman, Eric

2012

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Quadratic canonical transformation theory and higher order density matrices

The Journal of chemical physics, 2009-03, Vol.130 (12), p.124102-124102

2009

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Strongly contracted canonical transformation theory

The Journal of chemical physics, 2010-01, Vol.132 (2), p.024106-024106-13

2010

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Density Functional Extension to Excited-State Mean-Field Theory

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.164-178

2020

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A study of cumulant approximations to n -electron valence multireference perturbation theory

The Journal of chemical physics, 2009-05, Vol.130 (19), p.194107-194107-11

2009

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Excited-State-Specific Pseudoprojected Coupled-Cluster Theory

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6160-6171

2023

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Applying Generalized Variational Principles to Excited-State-Specific Complete Active Space Self-consistent Field Theory

Journal of chemical theory and computation, 2022-11, Vol.18 (11), p.6608-6621

2022

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Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States

Journal of chemical theory and computation, 2024-04, Vol.20 (7), p.2761-2773

2024

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A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo

Wiley interdisciplinary reviews. Computational molecular science, 2023-09, Vol.13 (5), p.e1659

2023

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A review of canonical transformation theory

International reviews in physical chemistry, 2010-04, Vol.29 (2), p.231-271

2010

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Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory

Physical review letters, 2019-07, Vol.123 (3), p.036402-036402, Article 036402

2019

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Optimization Stability in Excited-State-Specific Variational Monte Carlo

Journal of chemical theory and computation, 2023-02, Vol.19 (3), p.767-782

2023

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Subtractive manufacturing with geminal powers:making good use of a bad wave function

Molecular physics, 2016-03, Vol.114 (5), p.577-583

Neuscamman, Eric

2016

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A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2604-2611

2017

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Exploring Ligand-to-Metal Charge-Transfer States in the Photo-Ferrioxalate System Using Excited-State Specific Optimization

The journal of physical chemistry letters, 2023-08, Vol.14 (33), p.7454-7460

2023

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Communication: Variation after response in quantum Monte Carlo

The Journal of chemical physics, 2016-08, Vol.145 (8)

Neuscamman, Eric

2016

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Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition

Physical chemistry chemical physics : PCCP, 2012-06, Vol.14 (21), p.789-782

2012

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Equation of Motion Theory for Excited States in Variational Monte Carlo and the Jastrow Antisymmetric Geminal Power in Hilbert Space

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3719-3726

2016

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The Jastrow antisymmetric geminal power in Hilbert space: theory, benchmarking, and application to a novel transition state

Improved Optimization for the Cluster Jastrow Antisymmetric Geminal Power and Tests on Triple-Bond Dissociations

Communication: Variation after response in quantum Monte Carlo

Communication: a Jastrow factor coupled cluster theory for weak and strong electron correlation

An Efficient Variational Principle for the Direct Optimization of Excited States

Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

Size consistency error in the antisymmetric geminal power wave function can be completely removed

Quadratic canonical transformation theory and higher order density matrices

Strongly contracted canonical transformation theory

Density Functional Extension to Excited-State Mean-Field Theory

A study of cumulant approximations to n -electron valence multireference perturbation theory

Excited-State-Specific Pseudoprojected Coupled-Cluster Theory

Applying Generalized Variational Principles to Excited-State-Specific Complete Active Space Self-consistent Field Theory

Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States

A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo

A review of canonical transformation theory

Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory

Optimization Stability in Excited-State-Specific Variational Monte Carlo

Subtractive manufacturing with geminal powers:making good use of a bad wave function

A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo

Exploring Ligand-to-Metal Charge-Transfer States in the Photo-Ferrioxalate System Using Excited-State Specific Optimization

Communication: Variation after response in quantum Monte Carlo

Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition

Equation of Motion Theory for Excited States in Variational Monte Carlo and the Jastrow Antisymmetric Geminal Power in Hilbert Space

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