Gaussian basis implementation of the charge patching method-Reference-Cited by-同舟云学术

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Gaussian basis implementation of the charge patching method

Published:2018-09 Issue: Volume:368 Page:196-209
ISSN:0021-9991
Container-title:Journal of Computational Physics
language:en
Short-container-title:Journal of Computational Physics

Author:

Bodroski Zarko,Vukmirović Nenad^ORCID,Skrbic Srdjan^ORCID

Funder

Ministry of Education, Science and Technological Development of the Republic of Serbia

H2020

COST

SCOPES

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modelling and Simulation,Numerical Analysis

Reference67 articles.

1. Inhomogeneous electron gas;Hohenberg;Phys. Rev.,1964

2. Self-consistent equations including exchange and correlation effects;Kohn;Phys. Rev.,1965

3. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients;Payne;Rev. Mod. Phys.,1992

4. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials;Giannozzi;J. Phys. Condens. Matter,2009

5. Abinit: first-principles approach to material and nanosystem properties;Gonze;Comput. Phys. Commun.,2009

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