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.
Kirtman
Bernard
B
Department of Chemistry and Biochemistry, University of California, Santa Barbara, CA 93106, USA. kirtman@chem.ucsb.edu
Luis
Josep M
JM