: Alexander V. Burenin
: Symmetry of Intramolecular Quantum Dynamics
: Walter de Gruyter GmbH& Co.KG
: 9783110267648
: De Gruyter Studies in Mathematical PhysicsISSN
: 1
: CHF 168.50
:
: Theoretische Physik
: English
: 443
: Wasserzeichen
: PC/MAC/eReader/Tablet
: PDF
< >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. 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.



< >Alexander V. Burenin,Institute of Applied Physics, Russian Academy of Sciences, Russia.

Preface5
I Foundations of the mathematical apparatus15
1 Basic concepts of group theory17
1.1 The group postulates17
1.2 Subgroup, direct product of groups, isomorphism, and homomorphism20
1.3 Cosets. Semidirect product of groups21
1.4 Conjugacy classes23
2 Basic concepts of group representation theory24
2.1 Linear vector spaces24
2.2 Operators in configuration and function spaces27
2.3 Representations of groups29
2.4 Characters. Decomposition of reducible representations31
2.5 Direct product of representations. Symmetric power34
2.6 The Clebsch-Gordan coefficients37
2.7 Basis functions of irreducible representations39
2.8 Irreducible tensor operators. The Wigner-Eckart theorem42
3 The permutation group45
3.1 Operations in the permutation group. Classes45
3.2 Irreducible representations. The Young diagrams and tableaux47
3.3 Basis functions of irreducible representations49
3.4 The conjugate representation51
4 Continuous groups53
4.1 Compact Lie groups53
4.2 Lie group of linear transformations55
4.3 Lie algebra. Three-dimensional rotation group56
4.4 Irreducible representations of a three-dimensional rotation group60
5 Point groups65
5.1 Operations in point groups65
5.2 Discrete axial groups67
5.3 Cubic groups. Icosahedral groups68
5.4 Continuous axial groups70
6 Dynamic groups72
6.1 Invariant dynamic groups72
6.2 Noninvariant dynamic groups73
II Qualitative intramolecular quantum dynamics79
7 The philosophy of using the symmetry properties of internal dynamics81
7.1 Symmetry groups of internal dynamics81
7.2 Significance of the analysis of symmetry properties87
7.3 On the domain of the point group90
7.4 The chain of symmetry groups95
7.5 The concept of the coordinate spin97
7.6 The influence of numerical methods on the overall description100
7.7 Conclusions100
8 Internal dynamics of rigid molecules103
8.1 Nonlinear molecules without inversion center103
8.2 Nonlinear molecules with inversion center115
8.3 Linear molecules122
8.4 Description of quasidegenerate vibronic states129
8.5 Conclusions133
9 Molecules with torsional transitions of the exchange type137
9.1 Extended point groups. Intermediate configuration137
9.2 Methanol molecule CH3OH143
9.3 Ethane molecule C2H6149
9.4 The molecules of complex hydrides LiBH4 and NaBH4154
9.5 The molecules of dimethyl ether (CH3)2O and acetone (CH3)2CO162
9.6 Conclusions169
10 Molecules with pseudorotations of the exchange type171
10.1 Extended point groups171
10.2 Cyclobutane molecule C4H8173
10.3 Molecules of the XPF4 type180
10.4 Phosphorus pentafluoride molecule PF5185
10.5 The separation of internal motions193
10.6 Conclusions195