Computational Aspects of Electric Polarizability Calculations

Computational Aspects of Electric Polarizability Calculations

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This publication brings together contributions by eminent specialists in the field of the theoretical determination of electric polarizability. The contents of this book cover a wide area of subjects relevant to Chemical Physics, Molecular Physics, Nonlinear Optics and Materials Science. The subject covered in this publication are: Ab initio and Density functional theory calculations of electric polarizability and hyperpolarizability, intermolecular forces, aromaticity, molecular design, electric properties of solvated molecules, NLO materials, Raman intensisties, polarizability of metal and semiconductor clusters, relativistic effects on electric properties, and more. The major goal of the Journal of Computational Methods in Sciences and Engineering is the publication of new research results on computational methods in sciences and engineering. Common experience had taught us that computational methods originally developed in a given basic science, e.g. physics, can be of paramount importance to other neighbouring sciences, e.g. chemistry, as well as to engineering or technology and, in turn, to society as a whole.SCIENCES. AND. ENGINEERING. Editor-in-Chief and Founder Prof. Dr. Theodore Elias Simos Department of Computer Science and Technology School of Sciences and Technology University of Peloponnase GR-221 ... Massachusetts Institute of Technology USA K. Belkic University of Southern California USA R. de Borst Koiter Institute ... If no code appears in an article, the author has not given broad consent to copy and permission to copy must be obtained directly from the author.

Title:Computational Aspects of Electric Polarizability Calculations
Author:G. Maroulis
Publisher:IOS Press - 2004-01-01


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