Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states
| Author | dc.contributor.author | Matzke, P. | |
| Author | dc.contributor.author | Chacon, O. | |
| Author | dc.contributor.author | Sanhueza, E. | |
| Author | dc.contributor.author | Trsic, M. | |
| Admission date | dc.date.accessioned | 2018-12-20T14:17:32Z | |
| Available date | dc.date.available | 2018-12-20T14:17:32Z | |
| Publication date | dc.date.issued | 1972 | |
| Cita de ítem | dc.identifier.citation | International Journal of Quantum Chemistry, Volumen 6, Issue 3, 2018, Pages 407-412 | |
| Identifier | dc.identifier.issn | 1097461X | |
| Identifier | dc.identifier.issn | 00207608 | |
| Identifier | dc.identifier.other | 10.1002/qua.560060303 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/155534 | |
| Abstract | dc.description.abstract | Ground and excited singlet state dipole electric π polarizabilities of a set of conjugated molecules are calculated. Second order perturbation theory is used in the Epstein–Nesbet and Möller–Plesset versions. Hückel and SCF‐LCAO‐MO are used alternatively as a basis. The Möller–Plesset–SCF–LCAO–MO calculation appears well related to experimental values. Copyright © 1972 John Wiley & Sons, Inc. | |
| Lenguage | dc.language.iso | en | |
| Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
| Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
| Source | dc.source | International Journal of Quantum Chemistry | |
| Keywords | dc.subject | Atomic and Molecular Physics, and Optics | |
| Keywords | dc.subject | Condensed Matter Physics | |
| Keywords | dc.subject | Physical and Theoretical Chemistry | |
| Título | dc.title | Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states | |
| Document type | dc.type | Artículo de revista | |
| Cataloguer | uchile.catalogador | SCOPUS | |
| Indexation | uchile.index | Artículo de publicación SCOPUS | |
| uchile.cosecha | uchile.cosecha | SI |
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