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eBook Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Mathematical and Computational Chemistry) download

by Istvan Mayer

eBook Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Mathematical and Computational Chemistry) download ISBN: 1441933891
Author: Istvan Mayer
Publisher: Springer; Softcover reprint of the original 1st ed. 2003 edition (December 6, 2010)
Language: English
Pages: 337
ePub: 1629 kb
Fb2: 1419 kb
Rating: 4.1
Other formats: txt docx lrf rtf
Category: Math Sciences
Subcategory: Chemistry

Mathematical and Computational Chemistry. Bibliographic Information. Mathematical and Computational Chemistry.

Mathematical and Computational Chemistry. Simple Theorems, Proofs, and Derivations in Quantum Chemistry. Authors: Mayer, Istvan. price for USA in USD (gross). ISBN 978-1-4757-6519-9.

Series: Mathematical and Computational Chemistry. Hardcover: 337 pages. See and discover other items: mathematical proof. ISBN-13: 978-0306474095. Product Dimensions: 7 x . x 10 inches. Other books in this series. Many-Electron Densities and Reduced Density Matrices. By (author) Istvan Mayer. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step.

Simple Theorems, Proofs, and Derivations in Quantum Chemistry. Parisian Chic Books Paris A Style Guide by Ines de la Fressange. CampTeck 2X 120 litres Garden Waste Bag Polypropylene Heavy Duty Reusable Garden Refuse Sack Gardening.

Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem- istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara- tion of a master's or P. thesis in theoretical chemistry.

Some results of mathematical character concerning the theory of intermolecular interactions and the BSSE problem are presented. In quantum chemistry one usually deals with many-electron systems, and the wave functions depend on the coordinates of all the electrons.

See, for example: I. Mayer, Simple Theorems, Proofs and Derivations in Quantum Chemistry, Mathematical and Computational Chemistry Series, Vol. 3 (Kluwer Academic/ Plenum Publish-ers, New York, 2003). See, for example: . Bader, Atoms in Molecules: A Quantum Theory (Clarendon Press, Oxford, 1990). Beveridge, Approximate Molecular Orbital Theory (Mc Graw Hill, New York and 1970).

This series provides a one-stop resource for following progress in this interdisciplinary area.

In quantum chemistry, the Born-Oppenheimer approximation is assumed in a great fraction of the studies and it allows the .

In quantum chemistry, the Born-Oppenheimer approximation is assumed in a great fraction of the studies and it allows the central concept of potential energy surface to be well-dened, apart from considerably simplifying the calculations. The same decision is taken in this work.

The mathematical formulations of quantum mechanics are those mathematical formalisms that permit a rigorous description of quantum mechanics. Such are distinguished from mathematical formalisms for theories developed prior to the early 1900s by the use of abstract mathematical structures, such as Hilbert spaces and operators on these spaces.

Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem­ istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara­ tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin­ ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex­ tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe­ cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation.