Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals
Author
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-03-06
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
We have proposed a new approach to evaluate self-friction (SF) three-center nuclear attraction integrals over integer and noninteger Slater type orbitals (STOs) by using Guseinov one-range addition theorem in standard convention.
A complete orthonormal set of Guseinov ψα exponential type orbitals (ψα-ETOs, α=2,1,0,-1,-2,…) has been used to obtain the analytical expressions.
The overlap integrals with noninteger quantum numbers occurring in SF three-center nuclear attraction integrals have been evaluated using Qnsq auxiliary functions.
The accuracy of obtained formulas is satisfactory for arbitrary integer and noninteger principal quantum numbers.
American Psychological Association (APA)
Çopuroğlu, Ebru. 2017. Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1171396
Modern Language Association (MLA)
Çopuroğlu, Ebru. Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals. Journal of Chemistry No. 2017 (2017), pp.1-6.
https://search.emarefa.net/detail/BIM-1171396
American Medical Association (AMA)
Çopuroğlu, Ebru. Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-6.
https://search.emarefa.net/detail/BIM-1171396
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1171396
