A linear relation to calculate one particle expectation value for 1S2 configuration for 2 Z

A linear relation to calculate one particle expectation value for 1S2 configuration for 2 Z

One particle expectation value for 1S2 configuration for Z =2 to 10 are evaluated by using Hartree-Fock-Roothaan (HFR) wavefunction. A linear relation are determined to describe these results, and this relation have tested to check its ability to calculate one particle expectation value for atoms wi...

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Veröffentlicht in:مجلة جامعة الانبار للعلوم الصرفة 2012-10, Vol.6 (1), p.51-56
1. Verfasser: WISSAM AHMED AMEEN
Format: Artikel
Sprache:eng
Schlagworte:
expectation value
fock
hartree
he like atoms
roothan
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Zusammenfassung:One particle expectation value for 1S2 configuration for Z =2 to 10 are evaluated by using Hartree-Fock-Roothaan (HFR) wavefunction. A linear relation are determined to describe these results, and this relation have tested to check its ability to calculate one particle expectation value for atoms with higher atomic numbers (Z = 2 to 100). Results are in good agreement with calculations given by [S.L. Saito Atomic Data and Nuclear Data Tables95, (2009) ,836-870] for Z
ISSN:1991-8941
2706-6703
DOI:10.37652/juaps.2012.63150