Conical Intersections: Electronic Structure, Dynamics & SpectroscopyWorld Scientific, 2004 - Всего страниц: 838 It is widely recognized nowadays that conical intersections ofmolecular potential-energy surfaces play a key mechanistic role in thespectroscopy of polyatomic molecules, photochemistry and chemicalkinetics. This invaluable book presents a systematic exposition of thecurrent state of knowledge about conical intersections, which has beenelaborated in research papers scattered throughout the chemicalphysics literature. |
Содержание
Contents | 4 |
The BornOppenheimer Approximation | 14 |
Analysis in Powers of 1M¹4 | 23 |
Miscellaneous | 30 |
17 | 93 |
Additional Topics | 103 |
Eigenvalues and Eigenvectors of a 4x4 Hermitian Matrix | 109 |
Appendix F Orthogonal Intersection Adapted Coordinates | 115 |
Contents | 476 |
Photodissociation Dynamics Using | 482 |
Delayed Dissociation Symmetric Stretch Excitation | 486 |
Delayed Dissociation Bending Excitation | 497 |
The introduction of analytic energy gradients for selfconsistent field wave | 500 |
RennerTeller Induced Dissociation | 507 |
R Schinke | 514 |
Geometric Phase Effects in Chemical | 521 |
Acknowledgments | 123 |
41 | 125 |
A Generalized Gradient | 155 |
Applications | 164 |
Summary and Future Directions | 170 |
119 | 172 |
the Construction of Diabatic Electronic | 175 |
120 | 198 |
MultiSheeted Potential Energy | 205 |
Reaction Mechanisms | 271 |
7 | 323 |
8 | 367 |
9 | 376 |
Generic Aspects of the Dynamics | 395 |
JahnTeller and PseudoJahnTeller | 429 |
H Köppel | 467 |
Quantum Mechanical Studies | 475 |
Quantum Reaction Dynamics on | 555 |
Multidimensional Dynamics Involving a | 583 |
Mixed QuantumClassical Description of | 619 |
MeanField Trajectory Method | 635 |
SurfaceHopping Method | 642 |
QuantumClassical Liouville Description | 650 |
Mapping Approach | 659 |
Semiclassical Description of Nonadiabatic Quantum Dynamics | 676 |
Conclusions | 686 |
Absorption Emission and | 699 |
Femtosecond TimeResolved | 739 |
Nonadiabatic Quantum Dynamics and | 805 |
Nonadiabatic Coupling Elements | 811 |
Conical Intersections and Geometric Phases | 817 |
Inclusion of the Laser Pulse and Control Strategies | 823 |
| 829 | |
Другие издания - Просмотреть все
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy Wolfgang Domcke,David R Yarkony,Horst Köppel Ограниченный просмотр - 2004 |
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy Wolfgang Domcke,David Yarkony,Horst K ppel Ограниченный просмотр - 2004 |
Часто встречающиеся слова и выражения
ab initio absorption absorption spectrum adiabatic adiabatic population approximation basis set Born-Oppenheimer Born-Oppenheimer approximation calculations Chem classical computed conical intersection corresponding D. R. Yarkony decay degeneracy degrees of freedom denotes density derivative couplings described diabatic electronic diagonal discussed dissociation DMBE Domcke dynamics electronic wave function emission excited excited-state experimental formulation geometric phase geometric phase effects ground Hamiltonian include the geometric initial interaction Jahn-Teller Jahn-Teller Effect Köppel L. S. Cederbaum Lett linear M. A. Robb mapping approach matrix elements MCTDH method molecule nonadiabatic coupling nuclear coordinates obtained Olivucci orbitals oscillator packet parameters photoelectron photoisomerization Phys population probability potential energy surfaces potential-energy surfaces propagation pyrazine quantum quantum-mechanical quasiclassical reaction probabilities representation rotational S₁ Schrödinger equation semiclassical space spectra spectrum structure symmetry time-dependent tion transition ultrafast vector vibrational modes vibronic coupling wave function wavepacket
Ссылки на эту книгу
Reviews in Computational Chemistry, Volume 23 Kenny B. Lipkowitz,Thomas R. Cundari,Donald B. Boyd Недоступно для просмотра - 2007 |