The topics covered in the eleven plenary sessions on quantum chemistry and condensed matter physics, which are discussed in this book, include: electron transfer, molecular mechanics and microscopic theory, metallic clusters, novel electronic structure methods, high Tc superconductors, weird molecules and other current topics. Papers from these plenary sessions and from poster presentations covering these topics are collected in these proceedings.
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Für höhere Schule und Studium
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ISBN-13
978-0-471-50692-8 (9780471506928)
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Schweitzer Klassifikation
Partial table of contents:; Interacting Donors in the Optical Absorption of Semiconductors (P. Guimaraes & A. da Silva); Density and Density Matrix from Optimized Linearly Independent Product Basis Functions for Be (R. Morrison); A Combined Density Functional and Configuration Interaction Method (A. Savin); Vibrational Studies of HCN and DCN in Matrix (M. Chang); A General Polyatomic Potential Energy Surface Fitting Method (P. Jasien & R. Shepard); Theoretical Study of the Geometry of Mn5 (D. Shillady, et al.); Atomic Clusters and Cluster Models in Solid-State Physics (M. Seel); Electronic Localization in Anionic and Cationic Clusters (R. Rao & P. Lena); What Is Wrong with a Square Metal Cluster?; (J. Lauher); Partial Fourth Order Electron Propagator Theory (J. Ortiz); Analytical Evaluation of the Electrostatic Potential for Diatomic Molecules (H. Jones, et al.); A Discrete Search Technique for Global Optimization (R. Donnelly & J. Rogers, Jr.); The Application of Simulated Annealing to Problems of Molecular Mechanics (J. Moskowitz, et al.); Spatial Correlation of Electrons in Metals (N. March); Specific Solvation Effects on Electron Transfer (K. Mikkelson & M. Ratner); Author Index.
