Theoretical Vibrational Spectroscopy: A Review

نویسنده

  • Devendra Kumar Singh
چکیده

Spectroscopy is the study of the interaction between radiation and matter as a function of wavelength. Theoretical vibrational spectroscopy has been discussed in this paper. In this paper, various approximations for solving Schrödinger Equation have been discussed. Ab-initio methods and DFT methods, various basis set have been discussed in details.

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تاریخ انتشار 2017