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

2002 ◽  
Vol 91 (1) ◽  
pp. 13-19 ◽  
Author(s):  
Ayhan Özmen ◽  
Asli Karakaş ◽  
Ülfet Atav ◽  
Yusuf Yakar
Keyword(s):  
Slater Type Orbitals ◽  
Slater Type ◽  
Elliptical Coordinates ◽  
Coulomb Integrals

On The Computation Of Two-Center Coulomb Integrals Over Slater Type Orbitals Using The Poisson Equation

2005 ◽  
Vol 60 (7) ◽  
pp. 477-483 ◽  
Author(s):  
Sedat Gümüş
Keyword(s):  
Poisson Equation ◽  
Analytical Formula ◽  
Slater Type Orbitals ◽  
Slater Type ◽  
Quantum Numbers ◽  
The Poisson Equation ◽  
Wide Range ◽  
Internuclear Distances ◽  
Coulomb Integrals ◽  
Orbital Exponents

In this paper, a new analytical formula has been derived for the two-center Coulomb integrals over Slater type orbitals using the Poisson equation. The obtained results from constructed computer program for the presented formula have been compared with the available literature and it is seen that the efficiency of the presented algorithm for a wide range of quantum numbers, orbital exponents and internuclear distances is satisfactory.

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