Energy and density analyses of the1∑u+ states in the H2 molecule from the united atom to dissociation

Journal of Physical Chemistry A

Volumn 113, Issue 52, 2009, Pages 14791-14799

  Corongiu, Giorgina ^a   Clementi, Enrico ^b  

^a UNIVERSITY OF INSUBRIA   (Italy)

^b NONE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPREHENSIVE ANALYSIS; ELECTRONIC DENSITY; ENERGY CONTRIBUTION; FULL CONFIGURATION INTERACTION; GAUSSIAN FUNCTIONS; H2 MOLECULE; HARTREE-FOCK; INTERNUCLEAR DISTANCES; ION PAIRS; IONIC CHARACTER; IONIC COMPONENT; STATE ENERGY; TOTAL ENERGY; UNITED ATOMS;

DISSOCIATION; EXCITED STATES;

ATOMS;

EID: 73949088549     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9049395     Document Type: Article

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