Analytical first derivatives of the energy in the MNDO half-electron open-shell treatment

Theoretical Chemistry Accounts

Volumn 93, Issue 2, 1996, Pages 87-99

  Patchkovskii, S ^a   Thiel, W ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Analytical derivatives; Half electron method; MNDO; Z vector

Indexed keywords

EID: 0012934840     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf01113550     Document Type: Article

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