Calculations of two-center one-electron integrals

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Communications Faculty of Sciences University Ankara Series A2-A3 Physical and Engineering
Volume:49 Issue:01
Calculations of two-center one-electron integrals

Calculations of two-center one-electron integrals

Authors : Y YAKAR

Pages : 0-0

Doi:10.1501/commua1-2_0000000029

View : 11 | Download : 11

Publication Date : 2005-01-01

Article Type : Research Paper

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 Vinsert ignore into journalissuearticles values(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

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