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Methods of Electronic Structure Theory (Modern Theoretical Chemistry, 3) by Thom. H. Dunning Jr., P. Jeffrey Hay (auth.), Henry F. Schaefer III (eds.) is a nonfiction available to read on EtoBox.

What is Methods of Electronic Structure Theory (Modern Theoretical Chemistry, 3) about?

These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . .

Who reads Methods of Electronic Structure Theory (Modern Theoretical Chemistry, 3)?

Author

Thom. H. Dunning Jr., P. Jeffrey Hay (auth.), Henry F. Schaefer III (eds.)

Publisher

Springer Science + Business Media, LLC

Published

1977

Language

EN

ISBN

9781475708899

Category

nonfiction

Subjects

Science, Chemistry, Stem