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Year 2005, Volume: 49 Issue: 01, - , 01.01.2005

Y. Yakar

https://doi.org/10.1501/commua1-2_0000000029

Abstract

References

  • Communications, Series A2-A3: Physical Sciences and Engineering

Calculations of two-center one-electron integrals

Year 2005, Volume: 49 Issue: 01, - , 01.01.2005

Y. Yakar

https://doi.org/10.1501/commua1-2_0000000029

Abstract

Two-center kinetic energy and nuclear attraction integrals are defined in terms o f overlap integrals and incomplete gamma functions. A new analytical expression is obtained for nuclear attraction integral V(c> where the nuclear attraction operatör is not located at the same çenter with the basis functions. The recursive relations and generalized binomial coefficients are used for the evaluation of these integrals. Computer results are in good agreements with values given in the literatüre.

Keywords

Calculations two-center integrals

References

  • Communications, Series A2-A3: Physical Sciences and Engineering
There are 1 citations in total.

Details

Primary Language English
Subjects Engineering
Journal Section Research Articles
Authors

Y. Yakar This is me

Publication Date January 1, 2005
Submission Date January 1, 2005
Published in Issue Year 2005 Volume: 49 Issue: 01

Cite

APA Yakar, Y. (2005). Calculations of two-center one-electron integrals. Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering, 49(01). https://doi.org/10.1501/commua1-2_0000000029
AMA Yakar Y. Calculations of two-center one-electron integrals. Commun.Fac.Sci.Univ.Ank.Series A2-A3: Phys.Sci. and Eng. January 2005;49(01). doi:10.1501/commua1-2_0000000029
Chicago Yakar, Y. “Calculations of Two-Center One-Electron Integrals”. Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering 49, no. 01 (January 2005). https://doi.org/10.1501/commua1-2_0000000029.
EndNote Yakar Y (January 1, 2005) Calculations of two-center one-electron integrals. Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering 49 01
IEEE Y. Yakar, “Calculations of two-center one-electron integrals”, Commun.Fac.Sci.Univ.Ank.Series A2-A3: Phys.Sci. and Eng., vol. 49, no. 01, 2005, doi: 10.1501/commua1-2_0000000029.
ISNAD Yakar, Y. “Calculations of Two-Center One-Electron Integrals”. Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering 49/01 (January 2005). https://doi.org/10.1501/commua1-2_0000000029.
JAMA Yakar Y. Calculations of two-center one-electron integrals. Commun.Fac.Sci.Univ.Ank.Series A2-A3: Phys.Sci. and Eng. 2005;49. doi:10.1501/commua1-2_0000000029.
MLA Yakar, Y. “Calculations of Two-Center One-Electron Integrals”. Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering, vol. 49, no. 01, 2005, doi:10.1501/commua1-2_0000000029.
Vancouver Yakar Y. Calculations of two-center one-electron integrals. Commun.Fac.Sci.Univ.Ank.Series A2-A3: Phys.Sci. and Eng. 2005;49(01).

Communications Faculty of Sciences University of Ankara Series A2-A3 Physical Sciences and Engineering

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