Accurate crystal fields for embedded cluster calculations

Computer Physics Communications

Volumn 131, Issue 1, 2000, Pages 120-128

  Klintenberg, M ^a   Derenzo, S E ^a   Weber, M J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; QUANTUM THEORY;

IONIC CRYSTALS; QUANTUM CLUSTERS;

CRYSTAL DEFECTS;

EID: 0034274827     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00071-0     Document Type: Article

References (8)

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3. C. Kittel, Introduction to Solid State Physics (John Wiley and Sons, New York, 1971).
4. S.W. De Leeuw, J.W. Perram, E.R. Smith, Proc. Roy. Soc. London A 373 (1980) 27.
5. P.P. Ewald, Ann. Phys. 64 (1921) 253.
6. http://www.netlib.org/clapack/.
7. Jaguar v3.5 (Schrödinger, Inc., Portland, OR, 1997).
8. NWChem v3.3 (PNNL, Richland, WA, 1998).