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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

American Institute of Physics

Author: Martí, Josep
Bishop, David M.
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
Document access: http://hdl.handle.net/2072/116581
Language: eng
Publisher: American Institute of Physics
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: Recercat

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