Optimization of orbital-specific virtuals in local Mller-Plesset perturbation theory

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Kurashige, Yuki ^a   Yang, Jun ^b   Chan, Garnet K L ^b   Manby, Frederick R ^c  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b Department of Obstetrics Gynecology   (United States)

^c UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ORBITAL; CORRELATION EFFECT; FULL OPTIMIZATION; LOCAL CORRELATIONS; PERTURBATION THEORY; SECOND ORDERS; VIRTUAL FUNCTIONS; VIRTUAL ORBITALS;

QUANTUM CHEMISTRY;

OPTIMIZATION;

EID: 84859551968     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3696962     Document Type: Article

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