Artículo
Giambiagi, M.; de Giambiagi, M.S.; Ferreira, R.; Blanck, S. "Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene" (1976) Chemical Physics Letters. 38(1):65-67
Consulte la política de Acceso Abierto del editor
Abstract:
The behaviour of π-electron SC wavefunctions and energy levels reproducing directly obtained bond orders is studied for different excited states of trans-butadiene-1,3. © 1976.
Registro:
| Documento: | Artículo |
| Título: | Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene |
| Autor: | Giambiagi, M.; de Giambiagi, M.S.; Ferreira, R.; Blanck, S. |
| Filiación: | Departamento de Fisica, Universidade Federal de Pernambuco, Recife, Brazil Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de Buenos Aires, Argentina |
| Año: | 1976 |
| Volumen: | 38 |
| Número: | 1 |
| Página de inicio: | 65 |
| Página de fin: | 67 |
| DOI: | http://dx.doi.org/10.1016/0009-2614(76)80256-4 |
| Título revista: | Chemical Physics Letters |
| Título revista abreviado: | Chem. Phys. Lett. |
| ISSN: | 00092614 |
| CODEN: | CHPLB |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v38_n1_p65_Giambiagi |
Referencias:
- Hall, The Bond Orders of Alternant Hydrocarbon Molecules (1955) Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 229 A, p. 251
- Bollini, Giambiagi, Giambiagi, de Giambiagi, (1970) Theoret. Chim. Acta, 18, p. 394
- Bollini, Giambiagi, Giambiagi, de Giambiagi, (1971) Theoret. Chim. Acta, 22, p. 234
- Lefebvre, (1958) Calcul de Fonctions d'Onde Moléculaire, p. 95. , C.N.R.S, Paris
- Nesbet, Excited Electronic States of 1, 3-butadiene (1955) Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 230 A, p. 322
- Parr, Mulliken, (1950) J. Chem. Phys., 18, p. 1338
- Bagus, (1965) Phys. Rev., 139, p. A619
- Schwartz, (1970) Chem. Phys. Letters, 5, p. 50
- Basch, Hollister, Moskowitz, (1970) Sigma molecular orbitals, p. 449. , O. Sinanoğlu, W. Kenneth, Yale Univ. Press, New Haven
- Coutière, Demuynck, Veillard, (1972) Theoret. Chim. Acta, 27, p. 281
- Demuynck, Veillard, (1973) Theoret. Chim. Acta, 28, p. 241
- Hall, (1960) J. Chem. Phys., 33, p. 953
- Carbo, de Giambiagi, Giambiagi, Sequence of energy levels in molecular calculations with a nonorthogonal basis (1969) Il Nuovo Cimento B Series 10, 59 B, p. 204
- Pople, Beveridge, (1970) Approximate molecular orbital theory, p. 52. , McGraw-Hill, New York
- Ferreira, (1971) J. Phys. Chem., 75, p. 3012
- Finkelstein, de Giambiagi, Giambiagi, (1973) Z. Naturforsch., 28 A, p. 280
- Rossi, (1967) J. Chem. Phys., 46, p. 989
- Roothaan, (1951) Rev. Mod. Phys., 23, p. 69
- McWeeny, SCF theory for excited states (1974) Molecular Physics, 28, p. 1273
Citas:
---------- APA ----------
Giambiagi, M., de Giambiagi, M.S., Ferreira, R. & Blanck, S. (1976) . Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene. Chemical Physics Letters, 38(1), 65-67.http://dx.doi.org/10.1016/0009-2614(76)80256-4
---------- CHICAGO ----------
Giambiagi, M., de Giambiagi, M.S., Ferreira, R., Blanck, S. "Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene" . Chemical Physics Letters 38, no. 1 (1976) : 65-67.http://dx.doi.org/10.1016/0009-2614(76)80256-4
---------- MLA ----------
Giambiagi, M., de Giambiagi, M.S., Ferreira, R., Blanck, S. "Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene" . Chemical Physics Letters, vol. 38, no. 1, 1976, pp. 65-67.http://dx.doi.org/10.1016/0009-2614(76)80256-4
---------- VANCOUVER ----------
Giambiagi, M., de Giambiagi, M.S., Ferreira, R., Blanck, S. Remarks on self-consistent π-electron wavefunctions for excited states of trans-butadiene. Chem. Phys. Lett. 1976;38(1):65-67.http://dx.doi.org/10.1016/0009-2614(76)80256-4
