Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions

Advances in Quantum Chemistry - Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry ◽

10.1016/bs.aiq.2015.09.003 ◽

2016 ◽

pp. 315-332 ◽

Author(s):

Alessandro Roggero ◽

Paolo Mori ◽

Abhishek Mukherjee ◽

Francesco Pederiva

Keyword(s):

Monte Carlo ◽

Configuration Interaction ◽

Wave Functions ◽

Coupled Clusters

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Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00393 ◽

2018 ◽

Vol 14 (8) ◽

pp. 4176-4182 ◽

Author(s):

Monika Dash ◽

Saverio Moroni ◽

Anthony Scemama ◽

Claudia Filippi

Keyword(s):

Monte Carlo ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Geometry Optimization ◽

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Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions

Molecular Physics ◽

10.1080/00268976.2016.1149630 ◽

2016 ◽

Vol 114 (7-8) ◽

pp. 910-920 ◽

Author(s):

Emmanuel Giner ◽

Roland Assaraf ◽

Julien Toulouse

Keyword(s):

Monte Carlo ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

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Insights into the structure of many-electron wave functions of Mott-insulating antiferromagnets: The three-band Hubbard model in full configuration interaction quantum Monte Carlo

Physical Review B ◽

10.1103/physrevb.91.045139 ◽

2015 ◽

Vol 91 (4) ◽

Author(s):

Lauretta R. Schwarz ◽

George H. Booth ◽

Ali Alavi

Keyword(s):

Monte Carlo ◽

Hubbard Model ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Electron Wave ◽

Full Configuration Interaction

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Spin-symmetry adaptation to the Monte Carlo correction configuration interaction wave functions

The Journal of Chemical Physics ◽

10.1063/1.5108897 ◽

2019 ◽

Vol 151 (3) ◽

pp. 034115 ◽

Author(s):

Yuhki Ohtsuka

Keyword(s):

Monte Carlo ◽

Configuration Interaction ◽

Spin Symmetry ◽

Wave Functions ◽

Symmetry Adaptation

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Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions

The Journal of Chemical Physics ◽

10.1063/1.5055769 ◽

2018 ◽

Vol 149 (15) ◽

pp. 151101 ◽

Author(s):

J. Emiliano Deustua ◽

Ilias Magoulas ◽

Jun Shen ◽

Piotr Piecuch

Keyword(s):

Cluster Analysis ◽

Monte Carlo ◽

Quantum Chemistry ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Full Configuration Interaction ◽

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Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00371 ◽

2021 ◽

Author(s):

Ankit Mahajan ◽

Sandeep Sharma

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Auxiliary Field ◽

Sign Problem ◽

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Correlated Monte Carlo wave functions for some cations and anions of the first row atoms

The Journal of Chemical Physics ◽

10.1063/1.463938 ◽

1992 ◽

Vol 97 (5) ◽

pp. 3382-3385 ◽

Author(s):

J. W. Moskowitz ◽

K. E. Schmidt

Keyword(s):

Monte Carlo ◽

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Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

Chinese Physics Letters ◽

10.1088/0256-307x/34/8/080201 ◽

2017 ◽

Vol 34 (8) ◽

pp. 080201

Author(s):

Su-Jun Yun ◽

Tie-Kuang Dong ◽

Shi-Ning Zhu

Keyword(s):

Monte Carlo ◽

Hubbard Model ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Full Configuration Interaction

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Energies and Oscillator Strengths Using Configuration Interaction Wave Functions

Computational Atomic Physics ◽

10.1007/978-3-642-61010-3_3 ◽

1996 ◽

pp. 27-64

Author(s):

Alan Hibbert

Keyword(s):

Configuration Interaction ◽

Wave Functions ◽

Oscillator Strengths

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Tunneling in projective quantum Monte Carlo simulations with guiding wave functions

Physical Review B ◽

10.1103/physrevb.100.214303 ◽

2019 ◽

Vol 100 (21) ◽

Author(s):

T. Parolini ◽

E. M. Inack ◽

G. Giudici ◽

S. Pilati

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Quantum Monte Carlo Simulations

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