Symmetry of intramolecular quantum dynamics / Alexander V. Burenin ; translated by Alexey V. Krayev.

Format:

Book

Author/Creator:

Burenin, A. V. (Aleksandr Valentinovich)

Contributor:

Krayev, Alexey V.

Series:

De Gruyter Studies in Mathematical Physics

De Gruyter studies in mathematical physics ; 11

De Gruyter Studies in Mathematical Physics ; 11

Standardized Title:

Simmetrii͡a kvantovoĭ vnutrimolekuli͡arnoĭ dinamiki. English

Language:

English

Subjects (All):

Molecular dynamics--Mathematical models.

Molecular dynamics.

Molecular spectra.

Physical Description:

1 online resource (444 p.)

Edition:

1st ed.

Place of Publication:

Berlin : De Gruyter, 2012.

Language Note:

English

Summary:

The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. This approach does not introduce a configuration space of the molecular system in explicit form at all and, consequently, does not consider in explicit form the wave functions of the coordinates of this space. However, precisely because of its deep philosophical and technical difference this approach is the only possible for the solution of many topical problems of the internal dynamics of molecules. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry. The reader is not supposed to know the apparatus of group representation theory needed for application of symmetry methods in quantum intramolecular dynamics since the first part of the book is dedicated to it.

Contents:

Frontmatter

Preface

Contents

Part I. Foundations of the mathematical apparatus

Chapter 1. Basic concepts of group theory

Chapter 2. Basic concepts of group representation theory

Chapter 3. The permutation group

Chapter 4. Continuous groups

Chapter 5. Point groups

Chapter 6. Dynamic groups

Part II. Qualitative intramolecular quantum dynamics

Chapter 7. The philosophy of using the symmetry properties of internal dynamics

Chapter 8. Internal dynamics of rigid molecules

Chapter 9. Molecules with torsional transitions of the exchange type

Chapter 10. Molecules with pseudorotations of the exchange type

Chapter 11. Molecules with transitions of the nonexchange type between equivalent configurations

Chapter 12. On the meaning of the Born-Oppenheimer Approximation

Chapter 13. Molecules with transitions of the exchange and nonexchange types between equivalent configurations

Chapter 14. On the construction of extended point groups

Chapter 15. Nonrigid molecular systems with continuous axial symmetry groups

Chapter 16. Molecules with different isomeric forms in a single electronic state

Chapter 17. Molecules with different isomeric forms in different electronic states

Chapter 18. Algebraic models of the global description of molecular spectrum

Chapter 19. Description of the Zeeman and Stark effects

Chapter 20. Additional remarks on describing intramolecular dynamics

Conclusion

Appendices

Bibliography

Index

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

ISBN:

9783110267532

3110267535

OCLC:

826479663