graphical unitary group approach Latest Research Papers

Edge counts for the auxiliary pair graph within the graphical unitary group approach

Molecular Physics ◽

10.1080/00268976.2021.1950858 ◽

2021 ◽

pp. e1950858

Author(s):

Scott R. Brozell ◽

Ron Shepard

Keyword(s):

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Representations of Shavitt Graphs Within the Graphical Unitary Group Approach

Journal of Computational Chemistry ◽

10.1002/jcc.26080 ◽

2019 ◽

Vol 41 (2) ◽

pp. 129-135 ◽

Cited By ~ 1

Author(s):

Ron Shepard ◽

Scott R. Brozell ◽

Gergely Gidofalvi

Keyword(s):

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

The Journal of Chemical Physics ◽

10.1063/1.5108908 ◽

2019 ◽

Vol 151 (9) ◽

pp. 094104 ◽

Cited By ~ 12

Author(s):

Werner Dobrautz ◽

Simon D. Smart ◽

Ali Alavi

Keyword(s):

Monte Carlo ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Unitary Group ◽

Group Approach ◽

Full Configuration Interaction ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2017.06.003 ◽

2018 ◽

pp. 295-313 ◽

Cited By ~ 8

Author(s):

Patrick J. Lestrange ◽

Mark R. Hoffmann ◽

Xiaosong Li

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Electric Properties ◽

Time Dependent ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Graphical unitary group approach based on hole-particle symmetry using in multi-reference configuration interaction

Scientia Sinica Chimica ◽

10.1360/n032015-00140 ◽

2015 ◽

Vol 45 (12) ◽

pp. 1325-1336

Author(s):

Yubin Wang ◽

Yibo Lei ◽

Bingbing Suo ◽

Zhenyi Wen

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Reference Configuration ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.560200810 ◽

2009 ◽

Vol 20 (S15) ◽

pp. 91-100 ◽

Cited By ~ 49

Author(s):

Hans Lischka ◽

Ron Shepard ◽

Franklin B. Brown ◽

Isaiah Shavitt

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach ◽

Configuration Interaction Calculations

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A graphical unitary group approach-based hybrid density functional theory multireference configuration interaction method

Chemical Physics ◽

10.1016/j.chemphys.2008.01.018 ◽

2008 ◽

Vol 349 (1-3) ◽

pp. 158-169 ◽

Cited By ~ 15

Author(s):

Eric V. Beck ◽

Eric A. Stahlberg ◽

Larry W. Burggraf ◽

Jean-Philippe Blaudeau

Keyword(s):

Density Functional Theory ◽

Configuration Interaction ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Interaction Method ◽

Configuration Interaction Method ◽

Group Approach ◽

Functional Theory ◽

Graphical Unitary Group Approach ◽

Hybrid Density Functional

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Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach

Journal of Computational Chemistry ◽

10.1002/jcc.10210 ◽

2003 ◽

Vol 24 (6) ◽

pp. 714-726 ◽

Cited By ~ 129

Author(s):

Axel Koslowski ◽

Michael E. Beck ◽

Walter Thiel

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators

The Journal of Physical Chemistry A ◽

10.1021/jp9901242 ◽

1999 ◽

Vol 103 (29) ◽

pp. 5791-5800 ◽

Cited By ~ 116

Author(s):

Satoshi Yabushita ◽

Zhiyong Zhang ◽

Russell M. Pitzer

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Spin Orbit ◽

Group Approach ◽

Core Potential ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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A graphical unitary group approach to study multiplet specific multichannel electron correlation effects in the photoionization of O2

The Journal of Chemical Physics ◽

10.1063/1.468841 ◽

1995 ◽

Vol 102 (21) ◽

pp. 8493-8505 ◽

Cited By ~ 77

Author(s):

R. E. Stratmann ◽

Robert R. Lucchese

Keyword(s):

Electron Correlation ◽

Unitary Group ◽

Correlation Effects ◽

Group Approach ◽

Unitary Group Approach ◽

Electron Correlation Effects ◽

Graphical Unitary Group Approach

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graphical unitary group approach
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Edge counts for the auxiliary pair graph within the graphical unitary group approach

Representations of Shavitt Graphs Within the Graphical Unitary Group Approach

Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Graphical unitary group approach based on hole-particle symmetry using in multi-reference configuration interaction

New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations

A graphical unitary group approach-based hybrid density functional theory multireference configuration interaction method

Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach

Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators

A graphical unitary group approach to study multiplet specific multichannel electron correlation effects in the photoionization of O2

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graphical unitary group approachRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Edge counts for the auxiliary pair graph within the graphical unitary group approach

Representations of Shavitt Graphs Within the Graphical Unitary Group Approach

Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Graphical unitary group approach based on hole-particle symmetry using in multi-reference configuration interaction

New implementation of the graphical unitary group approach for multireference direct configuration interaction calculations

A graphical unitary group approach-based hybrid density functional theory multireference configuration interaction method

Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach

Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators

A graphical unitary group approach to study multiplet specific multichannel electron correlation effects in the photoionization of O2

graphical unitary group approach
Recently Published Documents