Anharmonic Corrections to Structural Experiment Data1

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Abstract

Anharmonic corrections to internuclear distances observed in diffraction and microwave experiments are calculated at the level of first-order perturbation theory. The results obtained for a simple system with the use of a quantum-mechanical potential function are compared with the values calculated according to currently used approximations. It is shown that the diatomic approximation enormously exaggerates anharmonic corrections to distances between nonhydrogen atoms.

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