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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

Autor: Kirtman, Bernard
Luis Luis, Josep Maria
Resum: 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
Accés al document: http://hdl.handle.net/2072/101681
Llenguatge: eng
Editor: American Institute of Physics
Drets: Tots els drets reservats
Matèria: Dinàmica molecular
Estructura molecular
Polarització (Física nuclear)
Molecular dynamics
Molecular structure
Polarization (Nuclear physics)
Títol: Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
Tipus: info:eu-repo/semantics/article
Repositori: Recercat

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