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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

American Institute of Physics

Author: Kirtman, Bernard
Luis Luis, Josep Maria
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
Document access: http://hdl.handle.net/2072/101681
Language: eng
Publisher: American Institute of Physics
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: Recercat

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