Overview
First monograph on alternative modern approaches to classical issues in chemistry.
Provides necessary tools for reader's own original research in the field.
Written for all experts in this field.
Includes supplementary material: sn.pub/extras
Access this book
Tax calculation will be finalised at checkout
Other ways to access
Table of contents (15 chapters)
-
Front Matter
-
Foundations of Quantum Mechanics
-
Front Matter
-
-
Theories of Electronic Structure
-
Front Matter
-
-
Chemical Concepts for Molecular Structure and Reactivity
-
Front Matter
-
Keywords
About this book
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Authors and Affiliations
Bibliographic Information
Book Title: Perspectives in Electronic Structure Theory
Authors: Roman F. Nalewajski
DOI: https://doi.org/10.1007/978-3-642-20180-6
Publisher: Springer Berlin, Heidelberg
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2012
Hardcover ISBN: 978-3-642-20179-0Published: 26 March 2012
Softcover ISBN: 978-3-642-43311-5Published: 13 April 2014
eBook ISBN: 978-3-642-20180-6Published: 23 March 2012
Edition Number: 1
Number of Pages: XX, 720
Topics: Theoretical and Computational Chemistry, Solid State Physics, Quantum Physics, Atomic/Molecular Structure and Spectra, Quantum Information Technology, Spintronics