Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
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–b...
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1995
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v16_n12_p1507_Cesco http://hdl.handle.net/20.500.12110/paper_01928651_v16_n12_p1507_Cesco |
| Aporte de: |
| Sumario: | 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. Copyright © 1995 John Wiley & Sons, Inc. |
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