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Computation of two-center Coulomb integrals over slater-type orbitals using elliptical coordinates

International Journal of Quantum Chemistry · Ocak 2002

Özet
A general analytic formula is obtained for the two-center Coulomb integrals over Slater-type orbitals in elliptical coordinates. Finite series expansions are used in the evaluation of the radial part of the integrals. The analytic formula is expressed in terms of a product of the well-known auxiliary functions Ak(p) and Bk(p) and incomplete gamma functions. Recursive relations for the computer evaluation of these functions are given as well. The recursive relations are stable and our computer results are in good agreement with the benchmark values given in the literature.
24 atıf Ocak 2002 DOI
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YÖKSİS Kayıtları
Computation of two center Coulomb integrals over Slater type orbitals using elliptical coordinates
International Journal of Quantum Chemistry · 2003 SCI-Expanded
Prof. Dr. ASLI KARAKAŞ →
Computation of two center coulomb integrals over Slater type orbitals using elliptical coordinates
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY · 2003 SCI-Expanded
Prof. Dr. ÜLFET ATAV →
Computation of two center Coulomb integrals over Slater type orbitals using elliptical coordinates
International Journal of Quantum Chemistry · 2003 SCI-Expanded
Prof. Dr. ÜLFET ATAV →
YÖKSİS Kayıtları — ISSN Eşleşmesi
Bu dergide (ISSN eşleşmesi) kurumun 7 kaydı bulundu.
Computation of overlap integrals over Slater type orbitals usingauxiliary functions
1998 ISSN: 0020-7608 SCI
Prof. Dr. ÜLFET ATAV →
Computation of two center Coulomb integrals over Slater type orbitals using elliptical coordinates
2003 ISSN: 0020-7608 SCI-Expanded
Prof. Dr. ASLI KARAKAŞ →
Comparison of transition probabilities calculated using different parameters on WBEPM theory for somep d andd p transitions in excited atomic nitrogen
2007 ISSN: 00207608 SCI-Expanded
Prof. Dr. GÜLTEKİN ÇELİK →
Computation of ionization and various excited state energies ofhelium and helium like quantum dots
2011 ISSN: 00207608 SCI
Prof. Dr. BEKİR ÇAKIR →
Computation of two center Coulomb integrals over Slater type orbitals using elliptical coordinates
2003 ISSN: 00207608 SCI-Expanded
Prof. Dr. ÜLFET ATAV →
Energy states, oscillator strengths and polarizabilities of many electron atoms confined by an impenetrable spherical cavity
2021 ISSN: 0020-7608 SCI-Expanded Q2
Prof. Dr. BEKİR ÇAKIR →
Comparison of Transition Probabilities Calculated Using Different Parameters on WBEPM Theory for Some p-d and d-p Transitions in Excited Atomic Nitrogen
2007 ISSN: 0020-7608 SCI
Prof. Dr. ERHAN AKIN →

Makale Bilgileri

Toplam Atıf 24 atıf · Scopus
ISSN00207608
Yayın TarihiOcak 2002
Cilt / Sayfa91 · 13-19

Kurumlar

Sakarya Üniversitesi
Serdivan Turkey
Selçuk Üniversitesi
Selçuklu Turkey

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Scimago Dergi (ISSN Eşleşmesi)
International Journal of Quantum Chemistry
Q3
SJR Skoru0,402
H-Index125
YayıncıJohn Wiley & Sons Inc.
ÜlkeUnited States
Atomic and Molecular Physics, and Optics (Q3)
Condensed Matter Physics (Q3)
Physical and Theoretical Chemistry (Q3)
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24
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