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Symmetry of Intramolecular Quantum Dynamics.
Title:
Symmetry of Intramolecular Quantum Dynamics.
Author:
Burenin, Alexander V.
ISBN:
9783110267648
Personal Author:
Physical Description:
1 online resource (430 pages)
Series:
De Gruyter Studies in Mathematical Physics ; v.11

De Gruyter Studies in Mathematical Physics
Contents:
Preface -- I Foundations of the mathematical apparatus -- 1 Basic concepts of group theory -- 1.1 The group postulates -- 1.2 Subgroup, direct product of groups, isomorphism, and homomorphism -- 1.3 Cosets. Semidirect product of groups -- 1.4 Conjugacy classes -- 2 Basic concepts of group representation theory -- 2.1 Linear vector spaces -- 2.2 Operators in configuration and function spaces -- 2.3 Representations of groups -- 2.4 Characters. Decomposition of reducible representations -- 2.5 Direct product of representations. Symmetric power -- 2.6 The Clebsch-Gordan coefficients -- 2.7 Basis functions of irreducible representations -- 2.8 Irreducible tensor operators. The Wigner-Eckart theorem -- 3 The permutation group -- 3.1 Operations in the permutation group. Classes -- 3.2 Irreducible representations. The Young diagrams and tableaux -- 3.3 Basis functions of irreducible representations -- 3.4 The conjugate representation -- 4 Continuous groups -- 4.1 Compact Lie groups -- 4.2 Lie group of linear transformations -- 4.3 Lie algebra. Three-dimensional rotation group -- 4.4 Irreducible representations of a three-dimensional rotation group -- 5 Point groups -- 5.1 Operations in point groups -- 5.2 Discrete axial groups -- 5.3 Cubic groups. Icosahedral groups -- 5.4 Continuous axial groups -- 6 Dynamic groups -- 6.1 Invariant dynamic groups -- 6.2 Noninvariant dynamic groups -- II Qualitative intramolecular quantum dynamics -- 7 The philosophy of using the symmetry properties of internal dynamics -- 7.1 Symmetry groups of internal dynamics -- 7.2 Significance of the analysis of symmetry properties -- 7.3 On the domain of the point group -- 7.4 The chain of symmetry groups -- 7.5 The concept of the coordinate spin.

7.6 The influence of numerical methods on the overall description -- 7.7 Conclusions -- 8 Internal dynamics of rigid molecules -- 8.1 Nonlinear molecules without inversion center -- 8.2 Nonlinear molecules with inversion center -- 8.3 Linear molecules -- 8.4 Description of quasidegenerate vibronic states -- 8.5 Conclusions -- 9 Molecules with torsional transitions of the exchange type -- 9.1 Extended point groups. Intermediate configuration -- 9.2 Methanol molecule CH3OH -- 9.3 Ethane molecule C2H6 -- 9.4 The molecules of complex hydrides LiBH4 and NaBH4 -- 9.5 The molecules of dimethyl ether (CH3)2O and acetone (CH3)2CO -- 9.6 Conclusions -- 10 Molecules with pseudorotations of the exchange type -- 10.1 Extended point groups -- 10.2 Cyclobutane molecule C4H8 -- 10.3 Molecules of the XPF4 type -- 10.4 Phosphorus pentafluoride molecule PF5 -- 10.5 The separation of internal motions -- 10.6 Conclusions -- 11 Molecules with transitions of the nonexchange type between equivalent configurations -- 11.1 Extended point groups -- 11.2 The ammonia molecule NH3 -- 11.3 The peroxide molecule HOOH -- 11.4 The hydrazine molecule N2H4 -- 11.5 Conclusions -- 12 On the meaning of the Born-Oppenheimer Approximation -- 12.1 Nondegenerate electronic states -- 12.2 Degenerate electronic states -- 12.3 Internal geometric symmetry of the Hamiltonian -- 12.4 Definition of the rotational motion -- 12.5 Selection of physically meaningful states -- 12.6 Symmetry methods in the description of intramolecular dynamics -- 12.7 Geometric symmetry and definitions of nonrigid motions -- 12.8 Nuclear statistical weights -- 12.9 Conclusions -- 13 Molecules with transitions of the exchange and nonexchange types between equivalent configurations -- 13.1 Extended point groups -- 13.2 Methanol molecule CH3OH -- 13.3 Methylamine molecule CH3NH2.

13.4 Cyclopentane molecule C5H10 -- 13.5 Conclusions -- 14 On the construction of extended point groups -- 14.1 Hydrogen fluoride dimer (HF)2 -- 14.2 Ionic complexes ArH+3 andArD+3 -- 14.3 Carbocation C2H+3 -- 14.4 Conclusions -- 15 Nonrigid molecular systems with continuous axial symmetry groups -- 15.1 Systems of the HCN/HNC type -- 15.2 Complexes of the XCO type -- 15.3 Nonrigid water molecules H2O -- 15.4 Conclusions -- 16 Molecules with different isomeric forms in a single electronic state -- 16.1 Distorted molecular systems -- 16.2 The methanol molecule CH2DOH -- 16.3 The ethane molecule CH2D-CH2D -- 16.4 The ethanol molecule CH3CH2OH -- 16.5 The cyclobutane 1,1-d2 molecule -- 16.6 The tetrahydrofuran molecule C4H8O -- 16.7 Conclusions -- 17 Molecules with different isomeric forms in different electronic states -- 17.1 Formaldehyde molecule H2CO -- 17.2 The ethylene molecule CH2-CD2 -- 17.3 Conclusions -- 18 Algebraic models of the global description of molecular spectrum -- 18.1 The rigid water molecule H2O -- 18.2 The nonrigid methanol molecule CH3OH -- 18.3 The nonrigid water molecule H2O -- 18.4 Conclusions -- 19 Description of the Zeeman and Stark effects -- 19.1 External field and symmetry of the stationary states -- 19.2 The Zeeman effect in the case of a rigid molecule -- 19.3 The Zeeman effect in the case of a nonrigid molecule -- 19.4 The Stark effect in the case of a rigid molecule -- 19.5 The Stark effect in the case of a nonrigid molecule -- 19.6 Conclusions -- 20 Additional remarks on describing intramolecular dynamics -- 20.1 The nonrigid trimethylborane molecule B(CH3)3 -- 20.2 Hyperfine interactions in the methane molecule CH4 -- 20.3 Parity violation effects in molecules with stereoisomers.

20.4 Parity violation effects in the molecules without stereoisomers -- 20.5 Conclusions -- Conclusion -- Appendices -- Bibliography -- Index.
Abstract:
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.
Local Note:
Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2017. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.
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