Premium
The variational cellular method for quantum mechanical applications: Calculations of the ground and excited states of F 2 and Ne 2 molecules
Author(s) -
Leite José R.,
Fazzio Adalberto,
Lima Marco A. P.,
Dias A. M.,
Rosato Abel,
Segre E.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560200843
Subject(s) - excited state , variational method , work (physics) , atomic physics , molecule , quantum , physics , chemistry , quantum mechanics
Abstract The recently developed variational cellular method (VCM) is used to investigate the ground and excited electronic structures of F 2 and Ne 2 molecules. This work reports our first attempt to apply the VCM to the study of molecular excited states. It is concluded that VCM yields potential energy curves for these molecules with a good degree of physical realism.