Energy and density analyses of the H2 molecule from the united atom to dissociation: The 1 Sum+g states

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Corongiu, Giorgina ^a   Clementi, Enrico ^b  

^a UNIVERSITY OF INSUBRIA   (Italy)

^b NONE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ORBITAL; BASIS SETS; COMPREHENSIVE ANALYSIS; DISSOCIATION PRODUCTS; ELECTRONIC DENSITY; ENERGY CONTRIBUTION; FULL CI; FULL CONFIGURATION INTERACTION; GAUSSIAN FUNCTIONS; GAUSSIAN-TYPE ORBITALS; HARTREE-FOCK; INTERNUCLEAR DISTANCES; ION PAIR SYSTEMS; IONIC CHARACTER; IONIC COMPONENT; ORBITALS; SLATER-TYPE ORBITALS; STATE ENERGY; TOTAL ENERGY; UNITED ATOMS; BORN-OPPENHEIMER APPROXIMATION; INTERNUCLEAR SEPARATION; POTENTIAL ENERGY CURVES; PRINCIPAL QUANTUM NUMBERS; SYSTEMS OF STATE;

CHEMICAL BONDS; DISSOCIATION; EXCITED STATES; HELIUM; IONS; MOLECULAR ORBITALS; WAVE FUNCTIONS; APPROXIMATION THEORY; ATOMS; POTENTIAL ENERGY; QUANTUM THEORY;

ATOMS; DISSOCIATION;

EID: 67651177795     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3168506     Document Type: Article

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