Floating spherical Gaussian orbitals based quantum Monte Carlo method in molecular electronic calculations

Shyn‐Yi Leu; Chung‐Yuan Mou

doi:10.1063/1.467307

Floating spherical Gaussian orbitals based quantum Monte Carlo method in molecular electronic calculations

The Journal of Chemical Physics ◽

10.1063/1.467307 ◽

1994 ◽

Vol 101 (7) ◽

pp. 5910-5918 ◽

Cited By ~ 18

Author(s):

Shyn‐Yi Leu ◽

Chung‐Yuan Mou

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Molecular Electronic ◽

Quantum Monte Carlo Method ◽

Gaussian Orbitals

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A diffusion quantum Monte Carlo method based on floating spherical Gaussian orbitals and Gaussian geminals: Dipole moment of lithium hydride molecule

The Journal of Chemical Physics ◽

10.1063/1.1344892 ◽

2001 ◽

Vol 114 (9) ◽

pp. 3898-3904 ◽

Cited By ~ 15

Author(s):

Shih-I Lu

Keyword(s):

Monte Carlo ◽

Dipole Moment ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Lithium Hydride ◽

Hydride Molecule ◽

Quantum Monte Carlo Method ◽

Gaussian Orbitals

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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) ◽

Cited By ~ 24

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 ◽

Cited By ~ 15

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 ◽

Cited By ~ 3

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 ◽

Cited By ~ 12

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 ◽

Cited By ~ 43

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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Electron-nucleus cusp correction scheme for the relativistic zeroth-order regular approximation quantum Monte Carlo method

The Journal of Chemical Physics ◽

10.1063/1.3418557 ◽

2010 ◽

Vol 132 (17) ◽

pp. 174108 ◽

Cited By ~ 8

Author(s):

Yutaka Nakatsuka ◽

Takahito Nakajima ◽

Kimihiko Hirao

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Zeroth Order ◽

Correction Scheme ◽

Regular Approximation ◽

Quantum Monte Carlo Method

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A quantum Monte Carlo method for nucleon systems

Physics Letters B ◽

10.1016/s0370-2693(98)01522-6 ◽

1999 ◽

Vol 446 (2) ◽

pp. 99-103 ◽

Cited By ~ 120

Author(s):

K.E. Schmidt ◽

S. Fantoni

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Method

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A Quantum Monte Carlo Method for the Heisenberg Spin System

Monte Carlo Methods in Quantum Problems ◽

10.1007/978-94-009-6384-9_11 ◽

1984 ◽

pp. 145-155 ◽

Cited By ~ 1

Author(s):

J. W. Lyklema

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Spin System ◽

Quantum Monte Carlo ◽

Heisenberg Spin ◽

Quantum Monte Carlo Method

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A thorough investigation of the projector quantum Monte Carlo method using MPP technologies

Lecture Notes in Computer Science - Applied Parallel Computing Computations in Physics, Chemistry and Engineering Science ◽

10.1007/3-540-60902-4_55 ◽

1996 ◽

pp. 524-533

Author(s):

Peter Valášek ◽

Ralf Hetzel

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Method

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