EXACT SOLUTION OF THE ROTATION-PUCKERING PROBLEM BY INFINITE MATRIX TECHNIQUE
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Publisher:Ohio State University
Using spherical polar coordinates for the internal motion of four membered ring molecules with constant bond length, the rotation-puckering problem may be formulated in a highly symmetric manner. The infinite energy matrix in the zeroth order base may be shown to have exponentially decaying matrix elements. The latter may be calculated by complex integration and may be shown to be expressible by the hypergeometric function in a systematic manner, suitable for efficient numerical calculation. Symmetry group and explicit formulae for rotation-puckering Raman transitions will be discussed.
Author Institution: Physical Chemistry Laboratory, ETH-Z Universitatstr