Canonical two-range addition theorem for slater-type orbitals

2012 ◽  
Vol 113 (1) ◽  
pp. 71-75 ◽  
Author(s):  
Daniel Gebremedhin ◽  
Charles Weatherford
Keyword(s):  
Addition Theorem ◽  
Slater Type Orbitals ◽  
Slater Type

scholarly journals Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals

2017 ◽  
Vol 2017 ◽  
pp. 1-6 ◽  
Author(s):  
Ebru Çopuroğlu
Keyword(s):  
Addition Theorem ◽  
Slater Type Orbitals ◽  
Slater Type ◽  
Arbitrary Integer ◽  
New Approach ◽  
Quantum Numbers ◽  
Noninteger Principal Quantum Numbers ◽  
Exponential Type Orbitals ◽  
Analytical Expressions ◽  
Nuclear Attraction

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.

Addition theorem of Slater-type orbitals: Application toH2+in a strong magnetic field

1999 ◽  
Vol 59 (2) ◽  
pp. 2412-2423 ◽  
Author(s):  
Ahmed Bouferguene ◽  
Charles A. Weatherford ◽  
Herbert W. Jones
Keyword(s):  
Magnetic Field ◽  
Strong Magnetic Field ◽  
Addition Theorem ◽  
Slater Type Orbitals ◽  
Slater Type

scholarly journals Use of lined-up auxiliary functions in the evaluation of overlap integrals over integer and non-integer n Slater type orbitals

2019 ◽  
Vol 12 ◽  
pp. 298-301
Author(s):  
Israfil I. Guseinov ◽  
Zekayi Andıç ◽  
Bahtiyar A. Mamedov ◽  
Nurşen Seçkin Görgün
Keyword(s):  
Slater Type Orbitals ◽  
Overlap Integrals ◽  
Slater Type ◽  
Auxiliary Functions

Representation of Kohn–Sham free atom eigenfunctions by Slater-type orbitals

2008 ◽  
Vol 108 (9) ◽  
pp. 1465-1476
Author(s):  
Zbigniew Romanowski ◽  
Abraham F. Jalbout
Keyword(s):  
Free Atom ◽  
Slater Type Orbitals ◽  
Slater Type

scholarly journals Combining Slater-type orbitals and effective core potentials

2017 ◽  
Vol 95 (5) ◽  
Author(s):  
Michał Lesiuk ◽  
Aleksandra M. Tucholska ◽  
Robert Moszynski
Keyword(s):  
Slater Type Orbitals ◽  
Slater Type ◽  
Effective Core Potentials
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