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Evaluation of Orbital‐ and Ground State Energies of Some Open‐ and Closed‐Shell Atoms over Integer and Noninteger Slater Type Orbitals
Author(s) -
Yakar Yusuf
Publication year - 2007
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200790012
Subject(s) - chemistry , open shell , atomic orbital , slater type orbital , slater determinant , molecular orbital , quantum number , integer (computer science) , ground state , atomic physics , electron , molecular orbital theory , computational chemistry , quantum mechanics , physics , molecule , organic chemistry , computer science , programming language
Ab initio calculations of the orbital and the ground state energies of some open‐ and closed‐shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum numbers noninteger have been performed. In order to increase the efficiency of these calculations the atomic two‐electron integrals were expressed in terms of incomplete beta function. Results were observed to be in good agreement with the literature.