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Measuring the Spin-Lattice Relaxation Magnetic Field Dependence of Hyperpolarized [1-13C]pyruvate
Published on: September 13, 2019
Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
Bernard Kirtman1, Josep M Luis
1Department of Chemistry and Biochemistry, University of California, Santa Barbara, CA 93106, USA. kirtman@chem.ucsb.edu
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.
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