International Journal

Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients

Authors

Mike C. Payne, M. P. Teter, Douglas C. Allan, T. A. Arias, John D. Joannopoulos

Journal

Reviews of Modern Physics

Year Published

1992

Publisher

American Physical Society

Citations

9728 citations

Type

Article

Language

EN

Topics & Concepts

Pseudopotential (0.89) Physics (0.75) Ab initio (0.70) Total energy (0.55) Statistical physics (0.53)

Abstract

Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients - Full text available via OpenAlex

Author Details

Mike C. Payne

ORCID

M. P. Teter

Douglas C. Allan

ORCID

T. A. Arias

ORCID

John D. Joannopoulos

ORCID

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