Range separated functionals in the density functional based tight‐binding method: Formalism
Article
Niehaus, Thomas A.
and Della Sala, Fabio
(2012)
Range separated functionals in the density functional based tight‐binding method: Formalism.
physica status solidi (b) 249 (2), pp. 237-244.
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| Item type | Article | ||||
| Journal or Publication Title | physica status solidi (b) | ||||
| Publisher | WILEY-V C H VERLAG GMBH | ||||
| Place of Publication | WEINHEIM | ||||
| Volume | 249 | ||||
| Number of Issue or Book Chapter | 2 | ||||
| Page Range | pp. 237-244 | ||||
| Date | 2012 | ||||
| Date of publication | 19 Dec 2024 09:43 | ||||
| Institutions | Physics > Institute of Theroretical Physics Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus Physics > Institute of Theroretical Physics > Alumni or Retired Professors | ||||
| Identification Number |
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| Keywords | COMPLEX MATERIALS; SELF-CONSISTENCY; SPIN-DENSITIES; EXCHANGE; CHARGE; SIMULATIONS; POTENTIALS; EXPANSION; FORMULA; STATE; density functional based tight-binding; density functional theory; DFTB | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 64085 |
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