Dergiler / Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering / 2001 / Cilt: 46 - Sayı:

Computation of one-center overlap, nuclear attraction and kinetic energy integrals solver nonintegral-n

Sayfa
41–46
DOI
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Özet

Öz One-center nuclear attraction and kinetic energy integrals are defined in terms of overlap integrals with nonintegral-fl Slater-type orbitals. Stirlıng’s series used to overcome the difficulty introduced by the presence of nonintegral quantum numbers in the overlap integrals. Our results are satisfactory lower and large quantum numbers.

Anahtar kelimeler: Anahtar Kelimeler Computation, one-center overlap, kinetic energy