Inverse Problems of Vibrational Spectroscopy

A. G. Yagola, I. V. Kochikov, G. M. Kuramshina (Autoren)

Buch | Hardcover

305 Seiten

1999
VSP International Science Publishers (Verlag)
978-90-6764-304-7 (ISBN)

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This volume aims to provide a consistent mathematical and physical treatment of empirical data processing in vibrational spectroscopy, based on the modern theory of nonlinear ill-posed problems. It focuses on the mathematical formulation of model constraints and the use of experimental data.

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.

Erscheint lt. Verlag	1.7.1999
Reihe/Serie	Inverse and Ill-Posed Problems Series
Verlagsort	Zeist
Sprache	englisch
Gewicht	695 g
Themenwelt	Mathematik / Informatik ► Mathematik ► Angewandte Mathematik
	Mathematik / Informatik ► Mathematik ► Logik / Mengenlehre
	Naturwissenschaften ► Chemie ► Analytische Chemie
	Naturwissenschaften ► Physik / Astronomie ► Mechanik
ISBN-10	90-6764-304-1 / 9067643041
ISBN-13	978-90-6764-304-7 / 9789067643047
Zustand	Neuware