DOI: 10.1103/physrevb.45.11372. Energy versus free-energy conservation in first-principles molecular dynamics

Energy versus free-energy conservation in first-principles molecular dynamics

10.1103/physrevb.45.11372

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

Wentzcovitch, R. M., Martins, J. L., & Allen, P. B. (1992). Energy versus free-energy conservation in first-principles molecular dynamics. Physical Review B, 45(19), 11372â11374.

Authors 3

Renata M. Wentzcovitch (first)
José Luís Martins (additional)
Philip B. Allen (additional)

References 14 Referenced 184

10.1007/978-1-4899-0415-7 / Theory of the Inhomogeneous Electron Gas by S. Lundqvist (1983)
10.1103/PhysRev.137.A1441 / Phys. Rev. by N. D. Mermin (1965)
{'key': 'PhysRevB.45.11372Cc3R1', 'volume': '36', 'author': 'M. Grumbach', 'year': '1991', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. by M. Grumbach (1991)
10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by R. Car (1985)
10.1103/PhysRevLett.56.2656 / Phys. Rev. Lett. by M. C. Payne (1986)
10.1103/PhysRevB.40.12255 / Phys. Rev. B by M. P. Teter (1989)
10.1103/PhysRevB.40.7985 / Phys. Rev. B by G. Fernando (1989)
10.1103/PhysRevLett.64.1146 / Phys. Rev. Lett. by G.-X. Qian (1990)
10.1016/0038-1098(91)90629-A / Solid State Commun. by R. M. Wentzcovitch (1991)
10.1103/PhysRevB.45.1538 / Phys. Rev. B by T. Arias (1992)
10.1088/0034-4885/44/2/002 / Rep. Prog. Phys. by D. D. Koelling (1981)
10.1103/PhysRevB.28.5480 / Phys. Rev. B by C.-L. Fu (1983)
10.1103/PhysRevB.43.7312 / Phys. Rev. B by M. Pedersen (1991)
10.1103/PhysRevB.43.1993 / Phys. Rev. B by N. Troullier (1991)

Dates

Type	When
Created	23 years ago (July 26, 2002, 10:56 p.m.)
Deposited	8 years, 2 months ago (June 15, 2017, 5:01 a.m.)
Indexed	2 weeks, 1 day ago (Aug. 6, 2025, 9:49 a.m.)
Issued	33 years, 3 months ago (May 15, 1992)
Published	33 years, 3 months ago (May 15, 1992)
Published Online	33 years, 3 months ago (May 15, 1992)

Funders 0

None

BibTeX

@article{Wentzcovitch_1992, title={Energy versus free-energy conservation in first-principles molecular dynamics}, volume={45}, ISSN={1095-3795}, url={http://dx.doi.org/10.1103/physrevb.45.11372}, DOI={10.1103/physrevb.45.11372}, number={19}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Wentzcovitch, Renata M. and Martins, José Luís and Allen, Philip B.}, year={1992}, month=may, pages={11372–11374} }

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