Inverse problems of vibrational spectroscopy
著者
書誌事項
Inverse problems of vibrational spectroscopy
（Inverse and ill-posed problems series）
VSP, 1999
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注記
Other authors: I.V. Kochikov, G.M. Kuramshina and Yu.A. Pentin
Bibliography : p. [289]-297
内容説明・目次
内容説明
01/07 This title is now available from Walter de Gruyter. Please see www.degruyter.com for more information.
目次
- Physical model of molecular vibrations
- full statement of the vibrational problem
- consideration of the mathematical model for molecular vibration analysis - direct and inverse problems
- vibrational problems in internal coordinates - use of the redundant coordinate system
- vibrational problems in symmetry coordinates
- ill-posed problems and the regularization method - regularizing algorithms for constructing force fields of poly-atomic molecules on the base of experimental data
- numerical methods
- analysis of band intensities in vibrational spectra of poly-atomic molecules
- numerical implementation of algorithms for solving problems of vibrational spectroscopy
- examples of molecular force field calculations on the basis of experimental data
- joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov's method of regularization. Appendix: systems of units used in vibrational spectroscopy.
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