Unified Approach for Molecular Dynamics and Density-Functional Theory.¶

Car, R., & Parrinello, M. (1985). Unified Approach for Molecular Dynamics and Density-Functional Theory. Physical Review Letters, 2471-2474.

Type: Journal article
Intellectual base: Primary research
Year: 1985
DOI: 10.1103/physrevlett.55.2471
Link: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.55.2471

Cited by¶

1 citation across 1 artifact.

Domain-specific¶

Molecular Dynamics
- Car and Parrinello’s 1985 method combined molecular dynamics with density-functional theory, extending trajectory simulation beyond ordinary pair-potential approximations and demonstrating the method on crystalline silicon.

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