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Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing

A simple extended finite field nuclear relaxation procedure for calculating vibrational contributions to degenerate four-wave mixing (also known as the intensity-dependent refractive index) is presented. As a by-product one also obtains the static vibrationally averaged linear polarizability, as well as the first and second hyperpolarizability. The methodology is validated by illustrative calculations on the water molecule. Further possible extensions are suggested

© Journal of Chemical Physics, 2008, vol. 128, núm. 11

American Institute of Physics

Author: Kirtman, Bernard
Luis Luis, Josep Maria
Date: 2008
Abstract: A simple extended finite field nuclear relaxation procedure for calculating vibrational contributions to degenerate four-wave mixing (also known as the intensity-dependent refractive index) is presented. As a by-product one also obtains the static vibrationally averaged linear polarizability, as well as the first and second hyperpolarizability. The methodology is validated by illustrative calculations on the water molecule. Further possible extensions are suggested
Format: application/pdf
Citation: Kirtman, B., i Luis, J.M. (2008). Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing. Journal of Chemical Physics, 128 (11), 114101. Recuperat 11 febrer 2011,a http://link.aip.org/link/doi/10.1063/1.2889950
ISSN: 0021-9606 (versió paper)
1089-7690 (versió electrònica)
Document access: http://hdl.handle.net/10256/3245
Language: eng
Publisher: American Institute of Physics
Collection: Reproducció digital del document publicat a: http://dx.doi.org/10.1063/1.2889950
Articles publicats (D-Q)
Is part of: © Journal of Chemical Physics, 2008, vol. 128, núm. 11
Rights: Tots els drets reservats
Subject: Dinàmica molecular
Estructura molecular
Polarització (Física nuclear)
Molecular dynamics
Molecular structure
Polarization (Nuclear physics)
Title: Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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