Zero-variance zero-bias quantum Monte Carlo estimators for the electron density at a nucleus

Manolo C. Per; Ian K. Snook; Salvy P. Russo

doi:10.1063/1.3644964

Zero-variance zero-bias quantum Monte Carlo estimators for the electron density at a nucleus

The Journal of Chemical Physics ◽

10.1063/1.3644964 ◽

2011 ◽

Vol 135 (13) ◽

pp. 134112 ◽

Cited By ~ 3

Author(s):

Manolo C. Per ◽

Ian K. Snook ◽

Salvy P. Russo

Keyword(s):

Monte Carlo ◽

Electron Density ◽

Quantum Monte Carlo ◽

Zero Bias

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Impact of electron density on the fixed-node errors in Quantum Monte Carlo of atomic systems

Chemical Physics Letters ◽

10.1016/j.cplett.2012.01.016 ◽

2012 ◽

Vol 528 ◽

pp. 59-62 ◽

Cited By ~ 21

Author(s):

K.M. Rasch ◽

L. Mitas

Keyword(s):

Monte Carlo ◽

Electron Density ◽

Quantum Monte Carlo ◽

Atomic Systems ◽

Fixed Node

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Communication: Fixed-node errors in quantum Monte Carlo: Interplay of electron density and node nonlinearities

The Journal of Chemical Physics ◽

10.1063/1.4862496 ◽

2014 ◽

Vol 140 (4) ◽

pp. 041102 ◽

Cited By ~ 23

Author(s):

Kevin M. Rasch ◽

Shuming Hu ◽

Lubos Mitas

Keyword(s):

Monte Carlo ◽

Electron Density ◽

Quantum Monte Carlo ◽

Fixed Node

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Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy

Physical Review A ◽

10.1103/physreva.80.032504 ◽

2009 ◽

Vol 80 (3) ◽

Cited By ~ 19

Author(s):

Yosuke Kanai ◽

Jeffrey C. Grossman

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Interaction Energy ◽

Electron Density ◽

Quantum Monte Carlo ◽

Density Functional ◽

Monte Carlo Analysis ◽

Functional Theory ◽

Interacting Systems

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Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces

The Journal of Chemical Physics ◽

10.1063/1.1621615 ◽

2003 ◽

Vol 119 (20) ◽

pp. 10536-10552 ◽

Cited By ~ 78

Author(s):

Roland Assaraf ◽

Michel Caffarel

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Zero Bias

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Levy–Lieb principle: The bridge between the electron density of Density Functional Theory and the wavefunction of Quantum Monte Carlo

Chemical Physics Letters ◽

10.1016/j.cplett.2014.11.060 ◽

2015 ◽

Vol 619 ◽

pp. 148-151 ◽

Cited By ~ 3

Author(s):

Luigi Delle Site

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Electron Density ◽

Quantum Monte Carlo ◽

Density Functional ◽

Functional Theory

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Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density

The Journal of Chemical Physics ◽

10.1063/1.2746029 ◽

2007 ◽

Vol 126 (24) ◽

pp. 244112 ◽

Cited By ~ 27

Author(s):

Julien Toulouse ◽

Roland Assaraf ◽

C. J. Umrigar

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Zero Bias ◽

Pair Density

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Quantum Monte Carlo Approaches for Correlated Systems

10.1017/9781316417041 ◽

2017 ◽

Cited By ~ 70

Author(s):

Federico Becca ◽

Sandro Sorella

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Correlated Systems

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APPLYING QUANTUM MONTE CARLO TO THE ELECTRONIC STRUCTURE PROBLEM

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk13 ◽

2016 ◽

Author(s):

Andrew Powell ◽

Richard Dawes

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Structure Problem

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Quantum Monte Carlo Methods in Equilibrium and Nonequilibrium Systems

10.1007/978-3-642-83154-6 ◽

1987 ◽

Cited By ~ 29

Keyword(s):

Monte Carlo ◽

Monte Carlo Methods ◽

Quantum Monte Carlo ◽

Nonequilibrium Systems ◽

Quantum Monte Carlo Methods

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Diffusion quantum Monte Carlo

Physics Subject Headings (PhySH) ◽

10.29172/b9e02b47-e089-442d-ad1c-a29f2e65c709 ◽

2018 ◽

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo

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