International Journal Open Access

Unified Approach for Molecular Dynamics and Density-Functional Theory

Authors

Roberto Car, Michele Parrinello

Journal

Physical Review Letters

Year Published

1985

Publisher

American Physical Society

Citations

10754 citations

Type

Article

Language

EN

Topics & Concepts

Pseudopotential (0.85) Density functional theory (0.74) Molecular dynamics (0.68) Statistical physics (0.61) Range (aeronautics) (0.48)

Abstract

Unified Approach for Molecular Dynamics and Density-Functional Theory - Full text available via OpenAlex

Author Details

Roberto Car

ORCID

Michele Parrinello

ORCID

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