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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, 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

© Journal of Chemical Physics, 1993, vol. 99, núm. 5, p. 3860-3864

American Institute of Physics

Author: Martí, Josep
Bishop, David M.
Date: 1993
Abstract: 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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Citation: Martí, J., i Bishop, D.M. (1993). A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration. Journal of Chemical Physics, 99 (5), 3860-3864. Recuperat 22 març 2011, a http://link.aip.org/link/doi/10.1063/1.466132
ISSN: 0021-9606 (versió paper)
1089-7690 (versió electrònica)
Document access: http://hdl.handle.net/10256/3279
Language: eng
Publisher: American Institute of Physics
Collection: Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.466132
Articles publicats (D-Q)
Is part of: © Journal of Chemical Physics, 1993, vol. 99, núm. 5, p. 3860-3864
Rights: Tots els drets reservats
Subject: Camps elèctrics
Molècules
Moments dipolars
Pertorbació (Matemàtica)
Polarització (Electricitat)
Electric fields
Molecules
Perturbation (Mathematics)
Polarization (Electricity)
Title: A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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