DOI: 10.1016/0927-0256(94)90105-8. Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace

Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace

10.1016/0927-0256(94)90105-8

Crossref journal-article

Elsevier BV

Computational Materials Science (78)

Bibliography

Hutter, J., LÃ¼thi, H. P., & Parrinello, M. (1994). Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace. Computational Materials Science, 2(2), 244â248.

Authors 3

Jürg Hutter (first)
Hans Peter Lüthi (additional)
Michele Parrinello (additional)

References 9 Referenced 140

10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by Car (1985)
{'key': '10.1016/0927-0256(94)90105-8_BIB2', 'series-title': 'Computer Simulations of Materials', 'author': 'Galli', 'year': '1991'} / Computer Simulations of Materials by Galli (1991)
10.1103/PhysRevLett.56.2656 / Phys. Rev. Lett. by Payne (1986)
10.1103/PhysRevB.39.4997 / Phys. Rev. B by Ŝtich (1989)
10.1103/RevModPhys.64.1045 / Rev. Mod. Phys. by Payne (1992)
10.1103/PhysRevB.40.12255 / Phys. Rev. B by Teter (1989)
10.1016/0009-2614(80)80396-4 / Chem. Phys. Lett. by Pulay (1980)
10.1016/S0022-2860(84)87198-7 / J. Mol. Struct. by Császár (1984)
10.1103/PhysRevLett.48.1425 / Phys. Rev. Lett. by Kleinman (1982)

Dates

Type	When
Created	22 years, 2 months ago (June 20, 2003, 2:47 p.m.)
Deposited	6 years, 5 months ago (March 19, 2019, 11:57 p.m.)
Indexed	1 month, 2 weeks ago (July 8, 2025, 3:44 a.m.)
Issued	31 years, 5 months ago (March 1, 1994)
Published	31 years, 5 months ago (March 1, 1994)
Published Print	31 years, 5 months ago (March 1, 1994)

Funders 0

None

BibTeX

@article{Hutter_1994, title={Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace}, volume={2}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/0927-0256(94)90105-8}, DOI={10.1016/0927-0256(94)90105-8}, number={2}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Hutter, Jürg and Lüthi, Hans Peter and Parrinello, Michele}, year={1994}, month=mar, pages={244–248} }

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