The variational cellular method for quantum mechanical applications: Calculations of the ground and excited states of F 2  and Ne 2  molecules | Zendy

Leite José R. | Zendy; Fazzio Adalberto | Zendy; Lima Marco A. P. | Zendy; Dias A. M. | Zendy; Rosato Abel | Zendy; Segre E. | Zendy

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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

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.

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