Characterization of molecular orbitals by counting nodal regions

Journal of Computational Chemistry

Volumn 26, Issue 4, 2005, Pages 325-333

  Hatano, Yasuyo ^a   Yamamoto, Shigeyoshi ^a   Tatewaki, Hiroshi ^b  

^a CHUKYO UNIVERSITY   (Japan)

^b NAGOYA CITY UNIVERSITY   (Japan)

Author keywords

CASSCF; Contraction; Hydrogen atomic orbital; Labeling; Nodal region; Nodal surface; Rydberg state

Indexed keywords

ALGORITHMS; CARBON MONOXIDE; DISSOCIATION; ETHYLENE; FORMALDEHYDE; LABELING; QUANTUM THEORY; SHRINKAGE; TOPOLOGY;

CASSCF; HYDROGEN ATOMIC ORBITAL; NODAL REGION; NODAL SURFACE; RYDBERG STATE;

MOLECULAR STRUCTURE;

CARBON MONOXIDE; CONTRACTION; DISSOCIATION; ETHYLENE; FORMALDEHYDE; LABELING; MOLECULAR STRUCTURE;

EID: 14744275490     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20169     Document Type: Article

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