Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fields

Journal of Physical Chemistry A

Volumn 110, Issue 16, 2006, Pages 5481-5486

  Gidofalvi, Gergely ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-MATRIX THEORY; N-REPRESENTABILITY CONDITIONS; POTENTIAL ENERGY SURFACES; VARIATIONAL OPTIMIZATION;

ALGORITHMS; ELECTRIC FIELDS; GROUND STATE; MOLECULAR VIBRATIONS; OPTIMIZATION; POTENTIAL ENERGY; QUANTUM THEORY; SURFACE PROPERTIES;

CARBON MONOXIDE;

CARBON MONOXIDE;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; QUANTUM THEORY; SURFACE PROPERTY;

CARBON MONOXIDE; COMPUTER SIMULATION; ELECTROSTATICS; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 33646401371     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056392j     Document Type: Article

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