Computation of molecular integrals over Slater-type orbitals. Part VI. Calculation of overlap integrals with the same screening parameters using Gegenbauer coefficients
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference9 articles.
1. Expansion of Slater-type orbitals about a displaced center and the evaluation of multicenter electron-repulsion integrals
2. Evaluation of multielectron molecular integrals over Slater-type orbitals using binomial coefficients
3. Computation of molecular integrals over Slater type orbitals I. Calculations of overlap integrals using recurrence relations
4. Computation of overlap integrals over Slater-type orbitals using auxiliary functions
5. On the evaluation of overlap integrals with the same screening parameters of Slater-type orbitals using binomial coefficients
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1. Convergence of Slater-Type Orbitals in Calculations of Basic Molecular Integrals;Iranian Journal of Science and Technology, Transactions A: Science;2017-03-15
2. Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function;The Journal of Physical Chemistry A;2013-07-17
3. Recurrence Relations for Radial Parts of STOs and Evaluation of Overlap Integrals via the Fourier Transform Methods;Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory;2013
4. Reducing and Solving Electric Multipole Moment Integrals;Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory;2013
5. Calculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method;International Journal of Quantum Chemistry;2011-03-08
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