Recent progress in the accurate and rapid evaluation of all Coulomb integrals over slater-type orbitals

2001 ◽  
Vol 84 (5) ◽  
pp. 580-591 ◽  
Author(s):  
Hassan Safouhi ◽  
Philip Hoggan
Keyword(s):  
Recent Progress ◽  
Slater Type Orbitals ◽  
Rapid Evaluation ◽  
Slater Type ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document