Analytical gradient of restricted second-order Møller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex

Chemical Physics Letters

Volumn 426, Issue 1-3, 2006, Pages 197-203

  Rhee, Young Min ^a,b   DiStasio Jr , Robert A ^a,b   Lochan, Rohini C ^a,b   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; NEGATIVE IONS; OLEFINS;

DIMER ANION COMPLEX; IDENTITY APPROXIMATIONS; RMP2 THEORY; TETRACYANOETHYLENE;

DIMERS;

EID: 33745727718     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.05.092     Document Type: Article

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