Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov Löwdin

ISBN-13: 9781402012860 / Angielski / Twarda / 2003 / 1373 str.

Erkki J. Brandas; Erkki J. Brdndas; E. S. Kryachko

Opis

From the contents: The kind and personal influence of Per-Olov Lowdin (J. Karle). - P.-O. Lowdin and the quantum mechanics of molecules (R.G. Woolley, B.T. Sutcliffe). - Symmetry breaking in the independent particle model (J.L. Stuber, J. Paldus). - The Hueckel-Hubbard Hamiltonian and its Gel'fand basis F.A. Matsen). - Different orbitals for different spins, Lowdin's idea (R. Pauncz). - The Pauli exclusive principle, spin-statistics connection, and permutation symmetry of many-particle wave functions (I.G. Kaplan). - The length and breadth of Lowdin-orthogonalizations (V. Srivastava). - Correlation between position and momentum: a phase-space view (J.P. Dahl). - Harmonic polynomials, hyperspherical harmonics, and Sturmians (J. Avery). - Sturmian orbitals in quantum chemistry: an introduction (V. Aquilanti, A. Caligiana). - Molecular orbital calculations with numerically optimized orbital bases (J.D. Talman, R. Yan)."

Recenzje

Per-Olov Löwdin was the principal driving force behind the establishement of the International Journal of Quantum Chemistry and Advances in Quantum Chemistry.

The 49 chapters of the two volumes are a fitting tribute to the legacy of one of the most important scientists of the 20th century. Most chapters highlight Löwdin's scientific contributions through his publications and his personal communications.

This two-volume set will provide many hours of stimulating and engaging reading for serious students of quantum chemistry. It provides an anecdotal record of the development of the field, valuable insight into the current status of the discipline, and perhaps most importantly the context of some important problems that await the attention of future generations of researchers.

Russell J. Boyd, Dalhousie University. In: 6836 J. AM. CHEM. SOC. Vol. 126, No. 21, 2004

 

Spis treści

Volume I:- Per-Olov Löwdin, A Scientific and Personal Appreciation; H. Shull. The Swedish Doorman, Poem by W. Shull. The Kind and Personal Influence of Per-Olov Löwdin; J. Karle. P.-O. Löwdin and The Quantum Mechanics of Molecules; R.G. Woolley, B.T. Sutcliffe. Symmetry Breaking in the Independent Particle Model; J.L. Stuber, J. Paldus. The Hueckel-Hubbard Hamiltonian and Its Gel'fand Basis; F.A. Matsen. Different Orbitals for Different Spins, Löwdin's Idea; R. Pauncz. The Pauli Exclusive Principle, Spin-Statistics Connection, and Permutation Symmetry of Many-Particle Wave Functions; I.G. Kaplan. The Length and Breadth of Löwdin-Orthogonalizations; V. Srivastava. Correlation Between Position and Momentum. A Phase-Space View; J.P. Dahl. Harmonic Polynomials, Hyperspherical Harmonics, and Sturmians; J. Avery. Sturmian Orbitals in Quantum Chemistry: An Introduction; V. Aquilanti, A. Caligiana. Molecular Orbital Calculations with Numerically Optimized Orbital Bases; J.D. Talman, R. Yan. About Overlap and Chemical Reality; G. Del Re. Quantum Mechanics of Many-Electron Systems and the Theories of Chemical Bond; M.A.C. Nascimento, A.G.H. Barbosa. Brillouin-Wigner Expansions In Quantum Chemistry. A Robust Approach to the Quantum Many-Body Problem in Molecules; I. Hubac, S. Wilson. Partitioning Techniques In Coupled-Cluster Theory; S.R. Gwaltney, G.J.O. Beran, M. Head-Gordon. Density Matrix Theory - A Retrospective; R. McWeeny. Geometric Aspects of the Theory of Density Matrices and Densities; J.E. Harriman. Density Matrix Variational Theory: Strength of Weinhold-Wilson Inequalities; M. Nakata, M. Ehara, H. Nakatsuji. Density Matrices for Electrons with Strong Interactions; R. Erdahl. AnalyticalHartree-Fock Wave Functions for Atoms and Ions; A.J. Thakkar, T. Koga. The Origin of the Molecular Atomization Energy Explained with the HF and HF-CC Models; E. Clementi, G. Corongiu. Some Exact Energy Relationships; P. Politzer. Shell Effects in the Relaxation Energy of 1s-Core Ionization of Atoms from He through Xe; J. Maruani, A.I. Kuleff, Ya.I. Delchev, C. Bonnelle. Second Order Properties in Tensor Product Space by CI Techniques: Computation of Dispersion Constants; G.L. Bendazzoli. Index. Volume II:- Non Hermitian Quantum Mechanics: Formalism and Applications; E. Narevicius, N. Moiseyev. On The Geometric Phase Effect in Jahn-Teller Systems; A.J.C. Varandas. Recent Developments and Applications of the State-Specific Approach to Excited States and Their Dynamics; C.A. Nicolaides. Accurate Determination of Partial Rates from Multichannel Wave Function; R. Lefebvre, B. Stern. Green Function for Elastic Scattering from Open-Shell Many-Body Targets; O.E. Alon, L.S. Cederbaum. Understanding the Rates of Chemical Reactions; J.N. Murrell. Multichannel Quantum-Classical Diffusion Equations; M.V. Basilevsky, A.I. Voronin. Field Energy Density in Chemical Reaction Systems; A. Tachibana. Quantum Chemical Methods Applied to Solids; P. Fulde. Superconducting and Spin Gaps in dx2-y2-Wave High Tc Cuprates; L.J. Dunne, E.J. Brändas. Quantum Theory of Disordered Chains; J.J. Ladik. Molecular Orbital Theory of the Gaseous Bose-Einstein Condensate: Natural Orbital Analysis of Strongly Correlated Ground and Excited States of An Atomic Condensate in A Double Well; W.P. Reinhardt, H. Perry. Model Studies of the Electrophilic Substitution of Methane with Various Electrophiles E (E=NO2+, F+, Cl+, Cl3+,