DOI: 10.1016/s0010-4655(97)00117-3. Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

10.1016/s0010-4655(97)00117-3

Crossref journal-article

Elsevier BV

Computer Physics Communications (78)

Bibliography

Bockstedte, M., Kley, A., Neugebauer, J., & Scheffler, M. (1997). Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics. Computer Physics Communications, 107(1â3), 187â222.

Authors 4

Michel Bockstedte (first)
Alexander Kley (additional)
Jörg Neugebauer (additional)
Matthias Scheffler (additional)

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Dates

Type	When
Created	23 years ago (July 25, 2002, 11:04 a.m.)
Deposited	6 years, 4 months ago (April 22, 2019, 6:51 p.m.)
Indexed	6 hours, 7 minutes ago (Aug. 23, 2025, 12:58 a.m.)
Issued	27 years, 8 months ago (Dec. 1, 1997)
Published	27 years, 8 months ago (Dec. 1, 1997)
Published Print	27 years, 8 months ago (Dec. 1, 1997)

Funders 0

None

BibTeX

@article{Bockstedte_1997, title={Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics}, volume={107}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/s0010-4655(97)00117-3}, DOI={10.1016/s0010-4655(97)00117-3}, number={1–3}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Bockstedte, Michel and Kley, Alexander and Neugebauer, Jörg and Scheffler, Matthias}, year={1997}, month=dec, pages={187–222} }

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