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
Link To Document :
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