Fractional Charge by Fixed-Node Diffusion Monte Carlo Method-Reference-Cited by-同舟云学术

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Fractional Charge by Fixed-Node Diffusion Monte Carlo Method

Published:2019-10-09 Issue:15 Volume:123 Page:
ISSN:0031-9007
Container-title:Physical Review Letters
language:en
Short-container-title:Phys. Rev. Lett.

Author:

Ditte Matej,Dubecký Matúš

Funder

Grantová Agentura ?eské Republiky

Ostravská Univerzita v Ostrav?

European Regional Development Fund

Agentúra na Podporu Výskumu a Vývoja

Publisher

American Physical Society (APS)

Subject

General Physics and Astronomy

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.123.156402/fulltext

Reference44 articles.

1. A random‐walk simulation of the Schrödinger equation: H+3

2. Fixed‐node quantum Monte Carlo for moleculesa) b)

3. A diffusion Monte Carlo algorithm with very small time‐step errors

4. Nonlocal pseudopotentials and diffusion Monte Carlo

5. Applications of quantum Monte Carlo methods in condensed systems

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1. Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree–Fock Slater Determinant;Journal of Chemical Theory and Computation;2023-11-09

2. Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride;Journal of Computational Chemistry;2023-09-22

3. Accuracy of Noncovalent Interactions Involving d-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials;Journal of Chemical Theory and Computation;2023-02-08

4. Benchmarking fundamental gap of Sc2C(OH)2 MXene by many-body methods;The Journal of Chemical Physics;2023-02-07

5. Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods;The Journal of Chemical Physics;2020-11-14

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