Electron band structure of solid methane: Inclusion of intermolecular self-consistency in calculations
- 15 June 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 9 (12) , 5332-5333
- https://doi.org/10.1103/physrevb.9.5332
Abstract
The authors analyze a recent calculation by themselves. According to a suggestion of Kunz, they include in the Fock matrix terms due to intermolecular self-consistency, thus getting a substantial improvement in calculations. The energy bands of solid methane have been recomputed and the resulting reduction of bandwidth has been discussed.Keywords
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