A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent,...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 1993 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/3279 |
| Acceso en línea: | http://hdl.handle.net/10256/3279 |
| Access Level: | acceso abierto |
| Palabra clave: | Camps elèctrics Molècules Moments dipolars Pertorbació (Matemàtica) Polarització (Electricitat) Electric fields Molecules Perturbation (Mathematics) Polarization (Electricity) |
| Sumario: | Two common methods of accounting for electric-field-induced perturbations to molecular vibration are analyzed and compared. The first method is based on a perturbation-theoretic treatment and the second on a finite-field treatment. The relationship between the two, which is not immediately apparent, is made by developing an algebraic formalism for the latter. Some of the higher-order terms in this development are documented here for the first time. As well as considering vibrational dipole polarizabilities and hyperpolarizabilities, we also make mention of the vibrational Stark effec |
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