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Calculation of relaxed orbital binding energies in atoms: Zinc and cadmium
Author(s) -
Das M. P.
Publication year - 1982
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.560210509
Subject(s) - cadmium , binding energy , zinc , density functional theory , chemistry , atomic physics , electron , gas phase , physics , molecular physics , computational chemistry , quantum mechanics , organic chemistry
Relaxed orbital binding energies of electrons in zinc and cadmium are calculated using a relativistic local density functional theory. The discrepancy between our calculated binding energies and those from gas phase experimental data are attributed to inhomogeniety and many body effects.