Fast calculation of electrostatics in crystals and large molecules

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6107-6110

  Delley, Bernard ^a  

^a PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTALS; ELECTRON ENERGY LEVELS; ELECTROSTATICS; MOLECULES; PHYSICAL CHEMISTRY;

ELECTRONIC CHARGE DISTRIBUTION; ELECTROSTATIC POTENTIALS; LARGE MOLECULES; TOLERANCE PARAMETER;

ELECTRONIC STRUCTURE;

EID: 0030121735     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952713n     Document Type: Article

References (10)

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4. Delley, B. J. Chem. Phys. 1990, 92, 508.
5. Dombroski, J. P.; Gill, P. M. W. In this issue.
6. Greengard, L.; Rokhlin, V. J. Comput. Phys. 1985, 60, 187.
7. White, C. A.; Johnson, 'B. G.; Gill, P. M. W.; Head-Gordon, M. Chem. Phys. Lett. 1994, 230, 8.
8. DSolid; Biosym-MSI: San Diego, CA, 1994.
9. Delley, B. J. Chem. Phvs. 1991, 94, 7245.
10. Delley, B.; Steigmeier, E. F. BAPS 1995, 40 (1), 98; Appl. Phys. Lett. 1995, 67, 2370.