Differential diffusion quantum Monte Carlo method: Determination of potential energy surfaces of molecules

Chinese Journal of Chemistry ◽

10.1002/cjoc.19990170309 ◽

2010 ◽

Vol 17 (3) ◽

pp. 267-273

Author(s):

Hong-Xin Huang ◽

Ze-Xing Cao ◽

Xian-Biao Zeng ◽

Ze-Lin Li ◽

Yue Zeng ◽

...

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Potential Energy ◽

Quantum Monte Carlo ◽

Potential Energy Surfaces ◽

Differential Diffusion ◽

Quantum Monte Carlo Method ◽

Energy Surfaces

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Two aspects of quantum monte carlo: Determination of accurate wavefunctions and determination of potential energy surfaces of molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560360826 ◽

2009 ◽

Vol 36 (S23) ◽

pp. 217-230 ◽

Author(s):

C. J. Umrigar

Keyword(s):

Monte Carlo ◽

Potential Energy ◽

Quantum Monte Carlo ◽

Potential Energy Surfaces ◽

Energy Surfaces

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A study of potential energy curves from the model space quantum Monte Carlo method

The Journal of Chemical Physics ◽

10.1063/1.4936412 ◽

2015 ◽

Vol 143 (21) ◽

pp. 214107 ◽

Author(s):

Yuhki Ohtsuka ◽

Seiichiro Ten-no

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Potential Energy ◽

Quantum Monte Carlo ◽

Model Space ◽

Potential Energy Curves ◽

Quantum Monte Carlo Method

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Calculation of potential energy surfaces with quantum Monte Carlo as a useful tool for the design of green chemical syntheses: The HOCO radical test case

10.1016/b978-0-12-819879-7.00007-6 ◽

2022 ◽

pp. 183-191

Author(s):

Claudio Amovilli ◽

Franca M. Floris

Keyword(s):

Monte Carlo ◽

Potential Energy ◽

Quantum Monte Carlo ◽

Potential Energy Surfaces ◽

Test Case ◽

Energy Surfaces

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Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF)2 and its isotopomers from quantum Monte Carlo calculations

The Journal of Chemical Physics ◽

10.1063/1.461486 ◽

1991 ◽

Vol 95 (1) ◽

pp. 28-59 ◽

Author(s):

Martin Quack ◽

Martin A. Suhm

Keyword(s):

Monte Carlo ◽

Potential Energy ◽

Quantum Monte Carlo ◽

Potential Energy Surfaces ◽

Intramolecular Dynamics ◽

Monte Carlo Calculations ◽

Rovibrational Spectra ◽

Energy Surfaces

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Computing potential energy curve for hydrogen fluoride in Ornstein-Uhlenbeck diffusion quantum Monte Carlo method

Chemical Physics Letters ◽

10.1016/j.cplett.2003.10.008 ◽

2003 ◽

Vol 381 (5-6) ◽

pp. 672-676 ◽

Author(s):

Shih-I Lu

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Potential Energy ◽

Hydrogen Fluoride ◽

Quantum Monte Carlo ◽

Potential Energy Curve ◽

Energy Curve ◽

Quantum Monte Carlo Method

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Efficient continuous-time quantum Monte Carlo method for the ground state of correlated fermions

Physical Review B ◽

10.1103/physrevb.91.235151 ◽

2015 ◽

Vol 91 (23) ◽

Author(s):

Lei Wang ◽

Mauro Iazzi ◽

Philippe Corboz ◽

Matthias Troyer

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Ground State ◽

Continuous Time ◽

Quantum Monte Carlo ◽

Time Quantum ◽

Quantum Monte Carlo Method ◽

Correlated Fermions

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The Numerical Comparison of Magnetic Susceptibility and Heat Capacity of TMNIN with the Result of a Quantum Monte Carlo Method for the Haldane System

Journal of the Physical Society of Japan ◽

10.1143/jpsj.63.1123 ◽

1994 ◽

Vol 63 (3) ◽

pp. 1123-1129 ◽

Author(s):

Masakazu Ito ◽

Masaki Mito ◽

Hiroyuki Deguchi ◽

Kazuyoshi Takeda

Keyword(s):

Heat Capacity ◽

Monte Carlo ◽

Magnetic Susceptibility ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Numerical Comparison ◽

Quantum Monte Carlo Method

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Comments on the quantum Monte Carlo method and the density matrix theory

The Journal of Chemical Physics ◽

10.1063/1.1558393 ◽

2003 ◽

Vol 118 (11) ◽

pp. 4781-4783 ◽

Author(s):

José Roberto dos Santos Politi ◽

Rogério Custodio

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Density Matrix ◽

Quantum Monte Carlo ◽

Matrix Theory ◽

Quantum Monte Carlo Method ◽

Density Matrix Theory

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Nuclear pairing correlations by a quantum Monte Carlo method

Nuclear Physics A ◽

10.1016/0375-9474(93)90511-u ◽

1993 ◽

Vol 564 (3) ◽

pp. 383-412 ◽

Author(s):

Nicolas Cerf

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Method ◽

Pairing Correlations

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Released-phase quantum Monte Carlo method

Physical Review E ◽

10.1103/physreve.55.6202 ◽

1997 ◽

Vol 55 (5) ◽

pp. 6202-6210 ◽

Author(s):

Matthew D. Jones ◽

Gerardo Ortiz ◽

David M. Ceperley

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Method

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