Investigation of a diagnostic for perturbation theory. Comparison to the T1 diagnostic of coupled-cluster theory

Chemical Physics Letters

Volumn 243, Issue 5-6, 1995, Pages 402-408

  Lee, Timothy J ^a   Head Gordon, Martin ^b   Rendell, Alistair P ^c  

^a NASA AMES RESEARCH CENTER   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013288257     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)00875-5     Document Type: Article

References (30)

1. The equilibrium geometry of C60 as predicted by second-order (MP2) perturbation theory
2. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
3. Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms