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Numerical evaluation of three- and four-center bielectronic integrals using exponential-type atomic orbitals |
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| Authors: | J C Cesco C C Denner A E Rosso J E Perez F S Ortiz R H Contreras C G Giribet M C Ruiz De Azúa |
| Abstract: | Three- and four-center Slater orbital bielectronic integrals are evaluated by means of a complete function set. The method provides a series to approximate the bielectronic integrals. Their corresponding partial sums are analyzed in detail for 1s orbitals. The comparison with the Fourier transform–based method brings forth encouraging perspectives for the present approach. © 1995 John Wiley & Sons, Inc. |
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