Ab initio structure and energetics of Pu(OH)4 and Pu(OH) 4(H2O)n clusters: Comparison between density functional and multi-reference theories

Chemical Physics Letters

Volumn 543, Issue , 2012, Pages 193-198

  Huang, Patrick ^a   Zavarin, Mavrik ^a   Kersting, Annie B ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY; PHYSICAL CHEMISTRY;

AB INITIO; AB INITIO STRUCTURE; AQUEOUS ENVIRONMENT; ATOMISTIC SIMULATIONS; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONALS; EXCHANGE-CORRELATIONS; GEOMETRIC STRUCTURE; MULTI REFERENCE; PLESSET PERTURBATION THEORY; SECOND ORDERS;

DENSITY FUNCTIONAL THEORY;

EID: 84962377222     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.06.033     Document Type: Article

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