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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Autores principales:	Cesco, J.C., Denner, C.C., Rosso, A.E., Perez, J.E., Ortiz, F.S., Contreras, R.H., Giribet, C.G., De Azúa, M.C.R.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_01928651_v16_n12_p1507_Cesco
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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spelling	todo:paper_01928651_v16_n12_p1507_Cesco2023-10-03T15:09:06Z Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals Cesco, J.C. Denner, C.C. Rosso, A.E. Perez, J.E. Ortiz, F.S. Contreras, R.H. Giribet, C.G. De Azúa, M.C.R. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_01928651_v16_n12_p1507_Cesco
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description	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.
format	JOUR
author	Cesco, J.C. Denner, C.C. Rosso, A.E. Perez, J.E. Ortiz, F.S. Contreras, R.H. Giribet, C.G. De Azúa, M.C.R.
spellingShingle	Cesco, J.C. Denner, C.C. Rosso, A.E. Perez, J.E. Ortiz, F.S. Contreras, R.H. Giribet, C.G. De Azúa, M.C.R. Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
author_facet	Cesco, J.C. Denner, C.C. Rosso, A.E. Perez, J.E. Ortiz, F.S. Contreras, R.H. Giribet, C.G. De Azúa, M.C.R.
author_sort	Cesco, J.C.
title	Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
title_short	Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
title_full	Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
title_fullStr	Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
title_full_unstemmed	Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
title_sort	numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals
url	http://hdl.handle.net/20.500.12110/paper_01928651_v16_n12_p1507_Cesco
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Numerical evaluation of three‐ and four‐center bielectronic integrals using exponential‐type atomic orbitals

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