1 resultado para Stochastics, Brownian Motion, Polymer Physics, Computational Physics, Hydrodynamics
em Universitat de Girona, Spain
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Resumo:
A general reduced dimensionality finite field nuclear relaxation method for calculating vibrational nonlinear optical properties of molecules with large contributions due to anharmonic motions is introduced. In an initial application to the umbrella (inversion) motion of NH3 it is found that difficulties associated with a conventional single well treatment are overcome and that the particular definition of the inversion coordinate is not important. Future applications are described