Fundamental World of Quantum Chemistry: v. 1&2 - A Tribute to the Memory of Per-Olov Lowdin

Fundamental World of Quantum Chemistry: v. 1&2 - A Tribute to the Memory of Per-Olov Lowdin

By: Erkki J. Brandas (editor), Eugene S. Kryachko (editor)Hardback

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Description

"Fundamental World of Quantum Chemistry" forms a collection of papers dedicated to the memory of Per-Olov Lowdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors.

Contents

Volume I:- Per-Olov Lowdin, A Scientific and Personal Appreciation; H. Shull. The Swedish Doorman, Poem by W. Shull. 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. 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. Analytical Hartree-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. Brandas. 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+, HBr2+, HCO+, OH+, H2-OH+, and Li+); P.R. Schreiner, A.A. Fokin, P. von R. Schleyer, H.F. Schaefer III. Application of MRD-CI for Computing Excited States of Radical Reactions Important for Atmospheric Chemistry: The Electronic Spectrum of Bromine Nitrate BrONO2 in Comparison to Isovalent ClONO2 and Photodissociation of BrONO2 along O-N and Br-O Cleavage; M. Muhlhauser, S.D. Peyerimhoff. Nitrous Oxide: Electron Attachment and Possible Scenario for Its Reaction with ns Metal Atoms; O. Tishchenko, E.S. Kryachko, M.T. Nguyen. Heavy Element Quantum Chemistry - The Multiconfigurational Approach; B. Roos, P.-A. Malmqvist, L. Cagliardi. Density Functional Theory Performance in Metal-Containing Systems; M.C. Michelini, T. Marino, N. Russo, E. Sicilia, M. Toscano. Revival of Parametrized Theoretical Methods for Applied Science Studies: The Example of Transition-Metal Clusters; G. Berthier, M. Defranceschi, C. Le Bris. Quantum Chemical Calculations of Molecular G-Tensors of Biological Radicals; O. Vahtras, M. Engstrom, H. Agren. Electron Propagator Calculations on the Ionization Energies of Nucleic Acid Bases, Base-Water Complexes and Base Dimers; O. Dolgounitcheva, V.G. Zakrzewski, J.V. Ortiz. Effects of Ionization and Cationization on Intermolecular Proton Transfer Reactions in DNA Base Pairs; J. Bertran, M. Noguera, M. Sodupe. The Origin of Spontaneous Point Tautomeric Mutations in DNA: Lowdin's Mechanism of Proton Tunneling in DNA Base Pairs; E.S. Kryachko. Modern Quantum Look At The Periodic Table of Elements; V.N. Ostrovsky. Lowdin's Remarks on the Aufbau Principle and a Philosopher's View of Ab Initio Quantum Chemistry; E.R. Scerri. Index.

Product Details

  • ISBN13: 9781402012860
  • Format: Hardback
  • Number Of Pages: 1436
  • ID: 9781402012860
  • weight: 2805
  • ISBN10: 1402012861

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