Advances in Quantum Chemistry

✍ Scribed by Per Olov Lowdin

• Publisher: Academic Press
• Year: 2003
• Tongue: English
• Leaves: 686
• Series: Advances in Quantum Chemistry 44
• Category: Library

✦ Synopsis

Content: Special vols.: v. 41 (2002): A tribute to the life and work of Per-Olov Lowdin.-v.42 (2003): see analytic entry 118469.-v.44 (2003): see analytic entry 88803.-vols. 45,46 (2004): see analytic entry 90077.-v. 48 (2005): Jens Oddershede -- adventurer in quantum chemistry

✦ Table of Contents

Content:
Contents
Pages v-xvi

Contributors
Pages xvii-xxii

Preface
Pages xxiii-xxv

Obituary Frank Ham (1928–2002)
Pages xxvii-xxxi

Anniversary Isaac Bersuker 75
Pages xxxiii-xxxvi

A Unique Jahn–Teller Mechanism of all the Symmetry Breakings in Molecular Systems and Condensed Matter Review Article
Pages 1-12
Isaac B. Bersuker

Icosahedral Quarks Review Article
Pages 13-19
B.R Judd, Edwin Lo

Antilinear Particle–Hole Conjugation Operators in Jahn–Teller Theory Review Article
Pages 21-43
E.D Savage, G.E Stedman

Renner–Teller Interaction Matrices and Green's Function Formalism Review Article
Pages 45-57
Giuseppe Bevilacqua, Liana Martinelli, Giuseppe Pastori Parravicini

Tunneling in Jahn–Teller Systems and Multidimensional WKB Approximation Review Article
Pages 59-88
Victor Polinger

Tunneling Path and Ground State Crossover in Linear T⊗(e⊕t₂) and Quadratic G⊗(g⊕h) Jahn–Teller Systems Review Article
Pages 89-102
Huanming Li, Victor Z. Polinger, Janette L. Dunn, Colin A. Bates

The Electronic Non-Adiabatic Coupling Terms: On the Connection between Molecular Physics and Field Theory Review Article
Pages 103-118
M. Baer, Á Vibók, G.J. Halász, D.J. Kouri

Nonadiabatic Coupling: General Features and Relation to Molecular Properties Review Article
Pages 119-133
Eugene S. Kryachko

Jahn–Teller Effect in the Excited State: Anomalous Temperature Dependence of the Zero-Phonon Line Review Article
Pages 135-149
V. Hizhnyakov, V. Boltrushko, H. Kaasik, I. Sildos

Critical Dependence of Multiphonon Transitions on Interaction Strength and Temperature Review Article
Pages 151-168
V. Hizhnyakov, H. Kaasik

Non-Condon Correction to Franck–Condon Values of Second-order Reduction Factors: The Cubic T Term Review Article
Pages 169-182
Faten Al-Hazmi, Victor Z. Polinger, Janette L. Dunn, Colin A. Bates, Elie A. Moujaes, Michel Abou-Ghantous

Embedding of the $$K10 Graph on a Surface with Seven Cross-caps and the Icosahedral H⊗2h Jahn–Teller Surface Review Article
Pages 183-198
Erwin Lijnen, Arnout Ceulemans

Combined Jahn–Teller and Pseudo-Jahn–Teller Effects in the Benzene Radical Cation Review Article
Pages 199-217
H. Köppel, I. Bâldea, P.G. Szalay

Symmetry Aspects of Distortivity in π Systems Review Article
Pages 219-237
P.W. Fowler

Jahn–Teller Effect in Circulenes Review Article
Pages 239-255
Tohru Sato, Yasutaka Kuzumoto, Ken Tokunaga, Hideaki Tanaka, Hiroshi Imahori

Vibronic Interactions and Jahn–Teller Effects in Charged Hydrocarbons Review Article
Pages 257-271
Takashi Kato, Kazuyuki Hirao

The Spin Hamiltonian Effective Approach to the Vibronic Effects–Selected Cases Review Article
Pages 273-288
F. Cimpoesu, K. Hirao, N. Stanica, V. Chihaia

Jahn–Teller Distortions and Excitation Energies in $C60$n+ Review Article
Pages 289-304
Martin Lüders, Nicola Manini

Many Electron- and Hole Terms of Molecular Ions C₆₀^n± Review Article
Pages 305-312
A.V Nikolaev, K.H Michel

Cage Structure Distortion of Fullerenes Review Article
Pages 313-317
Tatsuhisa Kato

Multiple Occupancy of Triply Degenerate States in Icosahedral Symmetry Review Article
Pages 319-334
S.S. Sookhun, C.A. Bates, J.L. Dunn, W. Diery

Vibronic-induced Shifts in the Optical Spectra of Doped Fullerenes Review Article
Pages 335-353
I.D. Hands, J.L. Dunn, C.A. Bates

A DFT Based Parameterization of the Vibronic Mixing between Two Non-degenerate Electronic States and the Application to s²-lone Pairs Review Article
Pages 355-368
M. Atanasov, D. Reinen

The Ab Initio Analytical Approach of Vibronic Quantities: Application to Inorganic Stereochemistry Review Article
Pages 369-387
F. Cimpoesu, K. Hirao

Vibronic Interactions in High Nuclearity Clusters Review Article
Pages 389-400
Serguei A. Borshch

On the Jahn–Teller Origin of the Phosphorus Molecule P₄ Activation by One- and Two-Electron Reduction Review Article
Pages 401-412
I.Ya. Ogurtsov, V. Mirzac

Magnetic Properties of a Low Symmetry d⁵ Complex: An Adiabatic Pseudo-Jahn–Teller Problem Review Article
Pages 413-428
Kim R. Dunbar, Eric J. Schelter, Boris S. Tsukerblat, Andrei V. Palii, Sergei M. Ostrovsky, Vadim Yu. Mirovitskii, Sophia I. Klokishner

Pseudo-Jahn–Teller Origin of the Metastable States in Sodium Nitroprusside Review Article
Pages 429-444
E. Coronado, S. Klokishner, O. Reu, B. Tsukerblat

Jahn–Teller Ions in Cubic Crystals Explored Through DFT Calculations Review Article
Pages 445-459
J.A. Aramburu, M .T. Barriuso, P. Garcı́a Fernández, M. Moreno

Analysis of the EPR and Raman Scattering of Copper(II) Doped CaO Review Article
Pages 461-481
Philip L.W. Tregenna-Piggott

The Mechanisms of Jahn–Teller Complex Reorientations Review Article
Pages 483-496
Yurii V. Yablokov, Maria A. Augustyniak-Jabłokow, Michael Hitchman, Dirk Reinen

Diffusion in Concentrated Jahn–Teller Systems Review Article
Pages 497-508
A.Ya Fishman, M.A Ivanov, T.E Kurennykh, A.S Lahtin, L.L Surat, V.B Vykhodets

Spectral Intensities in Cubic Stoichiometric Elpasolites: The Cs₂NaSmCl₆ and Cs₂NaEuCl₆ Systems Review Article
Pages 509-525
R. Acevedo, C. Portillo, G. Navarro, T. Meruane

Jahn–Teller Effect in Laser Crystal LiCaAlF₆: Cr³⁺ Review Article
Pages 527-534
C.N. Avram, Gh.E. Draganescu, N.M. Avram

Electron Correlation and Jahn–Teller Effect in Alkali-Metal-Doped C₆₀ Review Article
Pages 535-554
Shugo Suzuki, Tadahiko Chida, Kenji Nakao

Vibronic Renormalization of Superconductivity Gaps in a Two-Band Model of Cuprates Review Article
Pages 555-561
N. Kristoffel

Orbital Ordering and the Cooperative Jahn–Teller Effect in Single Crystals of the Magnetic Perovskite La_7/8Sr_1/8MnO₃ Review Article
Pages 563-578
I. Gordon, P. Wagner, V.V. Moshchalkov, Y. Bruynseraede, L. Pinsard, A. Revcolevschi

Low-Temperature Phase Transition and Structure of Ordered Phase in K₃H(SO₄)₂ (TKHS)-Family Materials Review Article
Pages 579-586
S.P Dolin, A.A Levin, T.Yu Mikhailova, M.V Solin

Cooperative Dynamical Effect in Rhombohedral LaMnO₃ Review Article
Pages 587-598
A.E. Nikiforov, S.E. Popov

First-order Phase Transition in UO₂: The Interplay of the 5f²–5f² Superexchange Interaction and Jahn–Teller Effect Review Article
Pages 599-616
V.S Mironov, L.F Chibotaru, A Ceulemans

Dynamic Jahn–Teller Character of Manganese(III) Spin-Crossover Complex [Mn(taa)] (H₃taa=tris(1-(2-azolyl)-2-azabuten-4-yl)amine) Review Article
Pages 617-630
Motohiro Nakano, Gen-etsu Matsubayashi, Takasuke Matsuo

Ground State of Quantum Jahn–Teller Model: Selftrapping vs. Correlated Phonon-assisted Tunneling Review Article
Pages 631-648
Eva Majernı́ková, S. Shpyrko

Microscopic Approach to Cooperative Jahn–Teller Effect in Crystals with Strong Intra-Site Vibronic Coupling Review Article
Pages 649-667
L.F. Chibotaru

Index
Pages 669-673