Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method
Article
Lutsker, Vitalij, Aradi, B. and Niehaus, Thomas A.
(2015)
Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method.
The Journal of Chemical Physics 143, p. 184107.
Involved Institutions
Details
| Item type | Article | ||||||
| Journal or Publication Title | The Journal of Chemical Physics | ||||||
| Publisher | AMER INST PHYSICS | ||||||
| Place of Publication | MELVILLE | ||||||
| Volume | 143 | ||||||
| Page Range | p. 184107 | ||||||
| Date | 11 November 2015 | ||||||
| Date of publication | 12 Nov 2015 14:28 | ||||||
| Institutions | Physics > Institute of Theroretical Physics Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus | ||||||
| Identification Number |
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| Keywords | MOLECULAR-ORBITAL METHOD; 3RD-ORDER SCC-DFTB; BAND-GAP PROBLEM; CONJUGATED OLIGOMERS; EXCHANGE FUNCTIONALS; PROTEIN-STRUCTURE; ELECTRIC-FIELD; PHASE; POLARIZABILITIES; POLYACETYLENE; | ||||||
| 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 | 32760 |
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