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


Autoria(s): Kirtman, Bernard; Luis Luis, Josep Maria
Data(s)

15/02/2011

Resumo

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

Identificador

http://hdl.handle.net/10256/3245

Idioma(s)

eng

Publicador

American Institute of Physics

Direitos

Tots els drets reservats

Palavras-Chave #Dinàmica molecular #Estructura molecular #Polarització (Física nuclear) #Molecular dynamics #Molecular structure #Polarization (Nuclear physics)
Tipo

info:eu-repo/semantics/article