Accurate double many-body expansion potential energy surface for the lowest singlet state of methylene

Journal of Physical Chemistry A

Volumn 113, Issue 16, 2009, Pages 4175-4183

  Joseph, S ^a   Varandas, J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO ENERGY; BASIS SETS; COMPLETE ACTIVE SPACE; DOUBLE MANY-BODY EXPANSIONS; GLOBAL POTENTIAL ENERGY SURFACES; MANY-BODY; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; SINGLET STATE; TOPOGRAPHICAL FEATURES;

COMPLEXATION; GROUND STATE; HYDROGEN INORGANIC COMPOUNDS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; SURFACE PHENOMENA;

POTENTIAL ENERGY;

EID: 65749119450     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810600r     Document Type: Article

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