Artículo

Pérez, J.E.; Cuenya, H.H.; Contreras, R.H.; Ortiz, F.S.; Grinberg, H.; de Ruiz Azúa, M.C.; Giribet, C.G. "Expansion of atomic orbital products in terms of a complete function set" (1994) Theoretica Chimica Acta. 88(2):147-168
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Abstract:

An alternative method for the evaluation of matrix elements required in an LCAO-SCF calculation is presented. It is based on the use of solutions of the Helmholtz equation within a spherical domain for expanding charge distributions with boundary conditions devised to make the electrostatic-potential integral particularly simple. This method allows the systematic evaluation of bielectronic integrals to be performed for any type of atomic orbitals. © 1994 Springer-Verlag.

Registro:

Documento: Artículo
Título:Expansion of atomic orbital products in terms of a complete function set
Autor:Pérez, J.E.; Cuenya, H.H.; Contreras, R.H.; Ortiz, F.S.; Grinberg, H.; de Ruiz Azúa, M.C.; Giribet, C.G.
Filiación:Depto. de Quimica y Física, Universidad Nacional de Río Cuarto, Estafeta Postal n9, Río Cuarto, 5800, Argentina
Depto. de Matemáticas, Universidad de Río Cuarto, Río Cuarto, Argentina
Depto. de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina
Palabras clave:Atomic orbitals; Bielectronic integrals; Helmholtz equation; LCAO-SCF
Año:1994
Volumen:88
Número:2
Página de inicio:147
Página de fin:168
DOI: http://dx.doi.org/10.1007/BF01114787
Título revista:Theoretica Chimica Acta
Título revista abreviado:Theoret. Chim. Acta
ISSN:00405744
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v88_n2_p147_Perez

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Citas:

---------- APA ----------
Pérez, J.E., Cuenya, H.H., Contreras, R.H., Ortiz, F.S., Grinberg, H., de Ruiz Azúa, M.C. & Giribet, C.G. (1994) . Expansion of atomic orbital products in terms of a complete function set. Theoretica Chimica Acta, 88(2), 147-168.
http://dx.doi.org/10.1007/BF01114787
---------- CHICAGO ----------
Pérez, J.E., Cuenya, H.H., Contreras, R.H., Ortiz, F.S., Grinberg, H., de Ruiz Azúa, M.C., et al. "Expansion of atomic orbital products in terms of a complete function set" . Theoretica Chimica Acta 88, no. 2 (1994) : 147-168.
http://dx.doi.org/10.1007/BF01114787
---------- MLA ----------
Pérez, J.E., Cuenya, H.H., Contreras, R.H., Ortiz, F.S., Grinberg, H., de Ruiz Azúa, M.C., et al. "Expansion of atomic orbital products in terms of a complete function set" . Theoretica Chimica Acta, vol. 88, no. 2, 1994, pp. 147-168.
http://dx.doi.org/10.1007/BF01114787
---------- VANCOUVER ----------
Pérez, J.E., Cuenya, H.H., Contreras, R.H., Ortiz, F.S., Grinberg, H., de Ruiz Azúa, M.C., et al. Expansion of atomic orbital products in terms of a complete function set. Theoret. Chim. Acta. 1994;88(2):147-168.
http://dx.doi.org/10.1007/BF01114787