Inverse Problems of Vibrational Spectroscopy / / A. G. Yagola, I. V. Kochikov, G. M. Kuramshina.

• Superior document: Title is part of eBook package: De Gruyter DGBA Mathematics - 1990 - 1999
• VerfasserIn: Yagola, A. G.,; Kochikov, I. V.,; Kuramshina, G. M.,
• Place / Publishing House: Berlin ;, Boston : : De Gruyter, , [2014]; ©1999
• Year of Publication: 2014
• Edition: Reprint 2014
• Language: English
• Series: Inverse and Ill-Posed Problems Series , 15
• Physical Description: 1 online resource (297 p.)

Table of Contents

• Frontmatter
• Contents
• Preface
• Introduction
• Chapter 1. Physical model of molecular vibrations
• Chapter 2. Full statement of the vibrational problem
• Chapter 3. Consideration of the mathematical model for molecular vibration analysis. Direct and inverse problems
• Chapter 4. Vibrational problem in internal coordinates. Use of the redundant coordinate system
• Chapter 5. Vibrational problem in symmetry coordinates
• Chapter 6. Ill-posed problems and the regularization method. Regularizing algorithms for constructing force fields of polyatomic molecules on the base of experimental data
• Chapter 7. Numerical methods
• Chapter 8. Analysis of band intensities in vibrational spectra of polyatomic molecules
• Chapter 9. Numerical implementation of algorithms for solving problems of vibrational spectroscopy
• Chapter 10. Examples of molecular force field calculations on the basis of experimental data
• Chapter 11. Joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov's method of regularization
• Appendix Α. Systems of units used in vibrational spectroscopy
• Bibliography