Construction of diabatic hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster

Journal of Physical Chemistry A

Volumn 117, Issue 16, 2013, Pages 3475-3495

  Mukherjee, Saikat ^a   Bandyopadhyay, Sudip ^b   Paul, Amit Kumar ^a   Adhikari, Satrajit ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

^b MAULANA AZAD COLLEGE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO QUANTUM CHEMISTRY; ADIABATIC POTENTIAL ENERGY SURFACE; CONFIGURATION SPACE; EXCITED ELECTRONIC STATE; EXPERIMENTAL SPECTRA; HAMILTONIAN MATRIX; IRREDUCIBLE REPRESENTATIONS; NONADIABATIC COUPLING TERMS;

HAMILTONIANS; QUANTUM CHEMISTRY;

SODIUM;

EID: 84876836463     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp311597c     Document Type: Article

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