Published

1982-07-01

Some numerlcai analysis of the omega technique

Keywords:


Ecucaciones de Goodisman, Orbitales atómicos, Orbitales moleculares, Análisis numérico, Técnica omega (es)

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Authors

  • Doris J. Barbiric INIFTA
  • Eduardo A. Castro INIFTA
  • Francisco M. Fernández INIFTA

Se llevaron a cabo verificaciones numéricas de las ecuaciones deducidas por goodlsman para las desviaciones de las poblaciones de los orbitales atómicos y las energías de los orbitales moleculares de sus valores finales auto-consistentes con seis moléculas. También, se Introdujo una generalización que abarca el caso frecuente de utilizar un valor promedio como población de partida para la siguiente Iteración.

How to Cite

IEEE

[1]
D. J. Barbiric, E. A. Castro, and F. M. Fernández, “Some numerlcai analysis of the omega technique”, Rev. Colomb. Quim., vol. 11, no. 2, pp. 39–54, Jul. 1982.

ACM

[1]
Barbiric, D.J., Castro, E.A. and Fernández, F.M. 1982. Some numerlcai analysis of the omega technique. Revista Colombiana de Química. 11, 2 (Jul. 1982), 39–54.

ACS

(1)
Barbiric, D. J.; Castro, E. A.; Fernández, F. M. Some numerlcai analysis of the omega technique. Rev. Colomb. Quim. 1982, 11, 39-54.

APA

Barbiric, D. J., Castro, E. A. and Fernández, F. M. (1982). Some numerlcai analysis of the omega technique. Revista Colombiana de Química, 11(2), 39–54. https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580

ABNT

BARBIRIC, D. J.; CASTRO, E. A.; FERNÁNDEZ, F. M. Some numerlcai analysis of the omega technique. Revista Colombiana de Química, [S. l.], v. 11, n. 2, p. 39–54, 1982. Disponível em: https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580. Acesso em: 4 sep. 2024.

Chicago

Barbiric, Doris J., Eduardo A. Castro, and Francisco M. Fernández. 1982. “Some numerlcai analysis of the omega technique”. Revista Colombiana De Química 11 (2):39-54. https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580.

Harvard

Barbiric, D. J., Castro, E. A. and Fernández, F. M. (1982) “Some numerlcai analysis of the omega technique”, Revista Colombiana de Química, 11(2), pp. 39–54. Available at: https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580 (Accessed: 4 September 2024).

MLA

Barbiric, D. J., E. A. Castro, and F. M. Fernández. “Some numerlcai analysis of the omega technique”. Revista Colombiana de Química, vol. 11, no. 2, July 1982, pp. 39-54, https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580.

Turabian

Barbiric, Doris J., Eduardo A. Castro, and Francisco M. Fernández. “Some numerlcai analysis of the omega technique”. Revista Colombiana de Química 11, no. 2 (July 1, 1982): 39–54. Accessed September 4, 2024. https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580.

Vancouver

1.
Barbiric DJ, Castro EA, Fernández FM. Some numerlcai analysis of the omega technique. Rev. Colomb. Quim. [Internet]. 1982 Jul. 1 [cited 2024 Sep. 4];11(2):39-54. Available from: https://revistas.unal.edu.co/index.php/rcolquim/article/view/10580

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