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Cited by 400

The DOI matches its Crossref record; 26 of the 26 references it cites were found in a registry or an index.

Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field

Open access
Umari, P., Pasquarello, Alfredo·2002·Physical Review Letters
DOI 10.1103/physrevlett.89.157602
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Abstract

We treat homogeneous electric fields within density functional calculations with periodic boundary conditions. A nonlocal energy functional depending on the applied field is used within an ab initio molecular dynamics scheme. The reliability of the method is demonstrated in the case of bulk MgO for the Born effective charges, and the high- and low-frequency dielectric constants. We evaluate the static dielectric constant by performing a damped molecular dynamics in an electric field and avoiding the calculation of the dynamical matrix. Application of this method to vitreous silica shows good agreement with experiment and illustrates its potential for systems of large size.

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Crossref · 10.1103/physrevlett.89.157602

Cites

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Metadata

Authors
Umari, P., & Pasquarello, A.
Venue
Physical Review Letters
Publisher
American Physical Society (APS)
Published
2002-09-20
Volume
89
Issue
15
Pages
157602-157602
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
DOI
10.1103/physrevlett.89.157602
OpenAlex
W2015561435
Cited by
400
References
26
FWCI
8.73
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field. https://app.cochat.ai/papers/10.1103/physrevlett.89.157602
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Umari, P., & Pasquarello, A. (2002). Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field. Physical Review Letters. https://doi.org/10.1103/physrevlett.89.157602

Data sources

Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.