Title of article
Analytical expressions of exchange and three-center nuclear attraction integrals over 1s and 2s Slater orbitals with different exponents
Author/Authors
Ruiz، نويسنده , , Marيa Belén and Peuker، نويسنده , , Katrin، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
6
From page
244
To page
249
Abstract
Compact analytical formulas are given for exchange integrals and three-center nuclear attraction integrals using nonorthogonal Slater orbitals with equal and different exponents which appear in a Hylleraas-CI basis. Since all exponents in the integrals may be different, they are appropriate to optimize exponents and therefore to shorten the wave function expansions.
Journal title
Chemical Physics Letters
Serial Year
2005
Journal title
Chemical Physics Letters
Record number
1916188
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