Ab initio calculations of autoionizing states using block diagonalization: Collinear diabatic states for dissociative recombination of electrons with N 2 H +

Chemical Physics Letters

Volumn 529, Issue , 2012, Pages 10-15

  Kashinski, D O ^a,c   Talbi, D ^b   Hickman, A P ^a  

^a LEHIGH UNIVERSITY   (United States)

^b UNIVERSITÉ MONTPELLIER II   (France)

^c UNITED STATES MILITARY ACADEMY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AUTOIONIZING STATE; BLOCK DIAGONALIZATION; BOND-BREAKING; BOND-STRETCHING; BRANCHING RATIO; DIABATIC STATE; DISSOCIATIVE RECOMBINATIONS; MULTI REFERENCE; PRODUCT CHANNEL; RYDBERG-VALENCE MIXING;

MOLECULAR ORBITALS;

DISSOCIATION;

EID: 84857657108     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.01.037     Document Type: Article

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