DOI: 10.1002/pssb.2221230125. Recursion Method with Plane Wave Basis for Band Structure Calculations

Recursion Method with Plane Wave Basis for Band Structure Calculations

10.1002/pssb.2221230125

Crossref journal-article

Wiley

physica status solidi (b) (311)

Abstract

AbstractThe recursion method of Haydock et al., being well suited for the determination of local densities of states using a basis set of localized functions, is transferred to band structure calculations with a plane wave basis set. This method, which is applicable to an arbitrary Hamiltonian matrix, turns out to be a fast procedure for the determination of energetically low lying eigenvalues and exhibits some advantageous features leading to a reduction of computational effort, compared with other methods.

Bibliography

BrÃ¼stel, U., & Unger, K. (1984). Recursion Method with Plane Wave Basis for Band Structure Calculations. Physica Status Solidi (b), 123(1), 229â236. Portico.

Authors 2

U. Brüstel (first)
K. Unger (additional)

References 9 Referenced 8

10.1088/0022-3719/5/20/004
10.1016/S0081-1947(08)60505-6
10.6028/jres.045.026
{'key': 'e_1_2_1_5_2', 'volume-title': 'Mathematical Methods for Digital Computers II', 'author': 'Ralston A.', 'year': '1967'} / Mathematical Methods for Digital Computers II by Ralston A. (1967)
10.1103/PhysRev.141.789
10.1103/PhysRev.93.1214
{'key': 'e_1_2_1_8_2', 'volume-title': 'Gruppentheorie in der Festkörperphysik', 'author': 'Streitwolf H.‐W.', 'year': '1967'} / Gruppentheorie in der Festkörperphysik by Streitwolf H.‐W. (1967)
10.1051/jphyslet:01977003809018700
10.1088/0022-3719/15/13/017

Dates

Type	When
Created	18 years, 1 month ago (July 10, 2007, 11:16 a.m.)
Deposited	1 year, 10 months ago (Oct. 20, 2023, 2:05 a.m.)
Indexed	1 year, 10 months ago (Oct. 22, 2023, 3:14 p.m.)
Issued	41 years, 3 months ago (May 1, 1984)
Published	41 years, 3 months ago (May 1, 1984)
Published Online	19 years, 6 months ago (Feb. 10, 2006)
Published Print	41 years, 3 months ago (May 1, 1984)

Funders 0

None

BibTeX

@article{Br_stel_1984, title={Recursion Method with Plane Wave Basis for Band Structure Calculations}, volume={123}, ISSN={1521-3951}, url={http://dx.doi.org/10.1002/pssb.2221230125}, DOI={10.1002/pssb.2221230125}, number={1}, journal={physica status solidi (b)}, publisher={Wiley}, author={Brüstel, U. and Unger, K.}, year={1984}, month=may, pages={229–236} }

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