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 ◽

Download Full-text

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 ◽

Download Full-text

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 ◽

Download Full-text

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

Download Full-text

Orbital-dependent backflow wave functions for real-space quantum Monte Carlo

Physical Review B ◽

10.1103/physrevb.99.085121 ◽

2019 ◽

Vol 99 (8) ◽

Author(s):

Markus Holzmann ◽

Saverio Moroni

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Download Full-text

Variational Monte Carlo study of local order in liquid and solidHe4with shadow wave functions

Physical Review B ◽

10.1103/physrevb.71.054513 ◽

2005 ◽

Vol 71 (5) ◽

Author(s):

Li Hui ◽

Francesco Pederiva

Keyword(s):

Monte Carlo ◽

Monte Carlo Study ◽

Wave Functions ◽

Local Order ◽

Variational Monte Carlo

Download Full-text

Are properties derived from variance-optimized wave functions generally more accurate? Monte Carlo study of non-energy-related properties of H2, He, and LiH

The Journal of Chemical Physics ◽

10.1063/1.481047 ◽

2000 ◽

Vol 112 (11) ◽

pp. 4935-4941 ◽

Author(s):

Martin Snajdr ◽

Stuart M. Rothstein

Keyword(s):

Monte Carlo ◽

Monte Carlo Study ◽

Download Full-text

Erratum: “Histogram filtering—a technique to optimize wave functions for use in Monte Carlo simulations” [J. Chem. Phys. 111, 9971 (1999)]

The Journal of Chemical Physics ◽

10.1063/1.1354146 ◽

2001 ◽

Vol 114 (15) ◽

pp. 6960-6960 ◽

Author(s):

Martin Snajdr ◽

Jason R. Dwyer ◽

Stuart M. Rothstein

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Chem Phys ◽

Download Full-text

Process characterization with Monte Carlo wave functions

Physical Review A ◽

10.1103/physreva.88.052129 ◽

2013 ◽

Vol 88 (5) ◽

Author(s):

J. Gulliksen ◽

D. D. Bhaktavatsala Rao ◽

K. Mølmer

Keyword(s):

Monte Carlo ◽

Wave Functions ◽

Process Characterization

Download Full-text

EXPLICITLY CORRELATED WAVE FUNCTIONS IN QUANTUM MONTE CARLO*

Computational Methods in Science and Technology ◽

10.12921/cmst.2003.09.01.11-22 ◽

2003 ◽

Vol 9 (1) ◽

pp. 11-22 ◽

Author(s):

DARIO BRESSANINI ◽

GABRIELE MOROSI ◽

SILVIA TARASCO

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Explicitly Correlated

Download Full-text

Pfaffian Pairing Wave Functions in Electronic-Structure Quantum Monte Carlo Simulations

Physical Review Letters ◽

10.1103/physrevlett.96.130201 ◽

2006 ◽

Vol 96 (13) ◽

Author(s):

M. Bajdich ◽

L. Mitas ◽

G. Drobný ◽

L. K. Wagner ◽

K. E. Schmidt

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Wave Functions ◽

Quantum Monte Carlo Simulations

Download Full-text