Extension of the PS-GVB electronic structure code to transition metal complexes

Journal of Computational Chemistry

Volumn 18, Issue 15, 1997, Pages 1863-1874

  Mainz, Daniel T ^a,c   Klicic, Jasna J ^a,b   Friesner, Richard A ^a   Langlois, Jean Marc ^b   Perry, Jason K ^b  

^a Columbia University ^*  (United States)

^b SCHRÖDINGER INC   (United States)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Density functional theory; Electronic structure; Hartree Fock theory; Pseudospectral methods; Transition metals

Indexed keywords

EID: 0038085810     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19971130)18:15<1863::AID-JCC3>3.0.CO;2-M     Document Type: Article

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