Quantum Systems in Chemistry and Physics, Part II

Other | November 1, 1998

byBrandas, Erkki J., Erkki J. Brandas

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The description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop onQuantum Systems in Chemistry and Physicswhich was held at Jesus College, Oxford, April 6-9, 1997. The purpose of this international Workshop was to bring together chemists and physicists with a common interest--the quantum mechanical many-body problem--and to encourage collaboration and exchange of ideas on the fundamentals by promoting innovative theory and conceptual development rather than improvements in computatorial techniques and routine applications.

Key Features
* Covers the following topics:
* Density matrices and density functional theory
* Electron correlation
* Relativistic effects
* Valence theory
* Nuclear motion
* Response theory
* Condensed matter
* Chemical reactions

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From the Publisher

The description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop onQuantum Systems in Chemistry and Physicswhich was held at Jesus College, Oxford, April 6-9, 1997. The purpose of this in...

Format:OtherDimensions:338 pages, 1 × 1 × 1 inPublished:November 1, 1998Publisher:Academic PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0080582575

ISBN - 13:9780080582573

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Table of Contents

H.M. Quiney, H. Skaane, and I.P. Grant,Ab InitioRelativistic Quantum Chemistry: Four-Components Good, Two-Components Bad!D.L. Cooper, T. Thorsteinsson, and J. Gerratt,Modern VB Representations of CASSCF Wave Functions and the Fully-Variational Optimization of Modern VB Wave Functions Using the CASVB Strategy.A. Kalemos and A. Mavridis,On the Electronic Structure of ScB+: Ground and Low-Lying Excited States.A. Szarecka, G. Day, P.J. Grout, and S. Wilson,On the Effects of Basis Set Truncation and Electron Correlation in the Conformers of 2-Hydroxy-Acetamide.M. Hoffmann, A. Szarecka, and J. Rychlewski,Gas-Phase Conformational Analysis of (R,R)-Tartaric Acid, Its Diamide, N,N,N',N'-Tetramethyldiamide and Model.C. Petrongolo,Recent Theoretical Developments in Conical-Intersection Effects in Triatomic Spectra.Y.G. Smeyers, M.L. Senent, and M. Villa,Ab InitioDetermination of Band Structures of Vibrational Spectra of Non-Rigid Molecules: Applications to Methylamine and Dimethylamine.R.G. Woolley,Gauge Invariance and Multipole Moments.I. Martin, C. Lavin, Y. Pérez-Delgado, J. Karwowski, and G.H.F. Diercksen,Vertical Electron Transitions in Rydberg Radicals.V. Véniard, R. Taïeb, and A. Maquet,Time-Dependent Quantum Treatment of Two-Colour Multiphoton Ionization Using a Strong Laser Pulse and High-Order Harmonic Radiation.M. Bylicki,Methods Involving Complex Coordinates Applied to Atoms.C. Amovilli, V. Barone, R. Cammi, E. Cancès, M. Cossi, B. Mennucci, C.S. Pomelli, and J. Tomasi,Recent Advances in the Description of Solvent Effects with the Polarization Continuum Model.M. Raimondi, A. Famulari, E. Gianinetti, M. Sorani, R. Specchio, and I. Vandoni,NewAb InitioVB Interaction Potential for Molecular Dynamics Simulation of Liquid Water.G.K.A. Keith, P.J. Grout, and S. Wilson,Systematic Sequences of Even-Tempered Gaussian Primatives for Diatomic Molecules in Solution: A Preliminary Study Using Continuum Solvation Models.J. Lingerberg,Beyond the Transition State Treatment. Subject Index.