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Bootstrap embedding: An internally consistent fragment-based method

The Journal of chemical physics, 2016-08, Vol.145 (7), p.074102-074102

2016

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Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures

The Journal of chemical physics, 2016-01, Vol.144 (1), p.011101-011101

2016

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Density matrix embedding in an antisymmetrized geminal power bath

The Journal of chemical physics, 2015-07, Vol.143 (2), p.024107-024107

2015

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Binary dopant segregation enables hematite-based heterostructures for highly efficient solar H2O2 synthesis

Nature communications, 2022-03, Vol.13 (1), p.1499-1499, Article 1499

2022

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Extended Møller-Plesset perturbation theory for dynamical and static correlations

The Journal of chemical physics, 2014-10, Vol.141 (16), p.164117-164117

2014

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Bridging Single- and Multireference Domains for Electron Correlation: Spin-Extended Coupled Electron Pair Approximation

Journal of chemical theory and computation, 2017-04, Vol.13 (4), p.1667-1681

2017

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General technique for analytical derivatives of post-projected Hartree-Fock

The Journal of chemical physics, 2017-02, Vol.146 (7), p.074104-074104

2017

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Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems

The Journal of chemical physics, 2015-10, Vol.143 (14), p.144114-144114

Tsuchimochi, Takashi

2015

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Projected Hartree-Fock theory

The Journal of chemical physics, 2012-04, Vol.136 (16), p.164109-164109-13

2012

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What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting?

Inorganic chemistry, 2014-07, Vol.53 (13), p.6386-6397

2014

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Strong correlations via constrained-pairing mean-field theory

The Journal of chemical physics, 2009-09, Vol.131 (12), p.121102-121102-4

2009

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Time-dependent projected Hartree-Fock

The Journal of chemical physics, 2015-03, Vol.142 (12), p.124103-124103

2015

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Analytic energy gradients for constrained DFT-configuration interaction

The Journal of chemical physics, 2014-05, Vol.140 (18), p.18A503-18A503

2014

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Improved Description and Efficient Implementation of Spin-Projected Perturbation Theory for Practical Applications

Journal of chemical theory and computation, 2021-06, Vol.17 (6), p.3471-3482

2021

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Extending spin‐symmetry projected coupled‐cluster to large model spaces using an iterative null‐space projection technique

Journal of computational chemistry, 2019-01, Vol.40 (1), p.265-278

2019

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Communication: ROHF theory made simple

The Journal of chemical physics, 2010-10, Vol.133 (14), p.141102-141102-4

2010

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Constrained active space unrestricted mean-field methods for controlling spin-contamination

The Journal of chemical physics, 2011-02, Vol.134 (6), p.064101-064101-14

2011

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Multi-state quantum simulations via model-space quantum imaginary time evolution

npj quantum information, 2023-11, Vol.9 (1), p.113-12, Article 113

2023

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Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals

The Journal of chemical physics, 2009-10, Vol.131 (16), p.164119-164119-10

2009

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Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities

The Journal of chemical physics, 2010-01, Vol.132 (2), p.024111-024111-9

2010

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Influence of third molar space on angulation and dental arch crowding

Odontology, 2013-01, Vol.101 (1), p.22-28

2013

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Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1741-1759

2016

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Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory

The Journal of chemical physics, 2010-10, Vol.133 (13), p.134108-134108-10

2010

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Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

Journal of computational chemistry, 2008-11, Vol.29 (14), p.2311-2316

2008

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First-Principles Investigation on the Heterostructure Photocatalyst Comprising BiVO 4 and Few-Layer Black Phosphorus

Journal of physical chemistry. C, 2021-10, Vol.125 (40), p.21840-21850

2021

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Bootstrap embedding: An internally consistent fragment-based method

Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures

Density matrix embedding in an antisymmetrized geminal power bath

Binary dopant segregation enables hematite-based heterostructures for highly efficient solar H2O2 synthesis

Extended Møller-Plesset perturbation theory for dynamical and static correlations

Bridging Single- and Multireference Domains for Electron Correlation: Spin-Extended Coupled Electron Pair Approximation

General technique for analytical derivatives of post-projected Hartree-Fock

Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems

Projected Hartree-Fock theory

What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting?

Strong correlations via constrained-pairing mean-field theory

Time-dependent projected Hartree-Fock

Analytic energy gradients for constrained DFT-configuration interaction

Improved Description and Efficient Implementation of Spin-Projected Perturbation Theory for Practical Applications

Extending spin‐symmetry projected coupled‐cluster to large model spaces using an iterative null‐space projection technique

Communication: ROHF theory made simple

Constrained active space unrestricted mean-field methods for controlling spin-contamination

Multi-state quantum simulations via model-space quantum imaginary time evolution

Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals

Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities

Influence of third molar space on angulation and dental arch crowding

Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment

Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

First-Principles Investigation on the Heterostructure Photocatalyst Comprising BiVO 4 and Few-Layer Black Phosphorus

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