Gradient of the ZAPT2 energy

Theoretical Chemistry Accounts

Volumn 107, Issue 2, 2002, Pages 57-70

  Fletcher, Graham D ^a   Gordon, Mark S ^b   Bell, Robert S ^c  

^a NASA AMES RESEARCH CENTER   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

Analytical derivative; High spin state; M ller Plesset perturbation theory

Indexed keywords

ACCELERATION; ANALYTIC METHOD; ARTICLE; DERIVATIZATION; ENERGY TRANSFER; MATHEMATICAL ANALYSIS; THEORETICAL MODEL;

EID: 0036115606     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-001-0304-z     Document Type: Article

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