Perspectives in electronic structure theory

Perspectives in electronic structure theory

by Nalewajski, Roman F.

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Title Statements

  • Full title :Perspectives in electronic structure theory / Roman F. Nalewajski.

Edition Statements

  • Publication Date:©2012.

Publication Statements

  • Publisher(s):Springer
  • Place of Publication:Berlin
  • Language:eng
  • Publication Date:©2012.

The Physical Object

  • Description:1 online resource (xix, 718 p.) : : ilustr

Edition Identifiers

Table of Contents

pt. 1. Foundations of quantum mechanics -- pt. 2. Theories of electronic structure -- pt. 3. Insights from information theory -- pt. 4. Chemical concepts for molecular structure and reactivity -- Part 1. FOUNDATIONS OF QUANTUM MECHANICS -- Sources -- Mathematical Apparatus -- Basic Concepts and Axioms -- Hydrogen-Like Atom -- Part 2. THEORIES OF ELECTRONIC STRUCTURE -- Approximating Molecular Schrödinger Equation -- Wave Function Methods -- Density Functional Theory -- Part 3. INSIGHTS FROM INFORMATION THEORY -- Elements of Information Theory -- Schrödinger Equations from Information Principles -- Electron Density as Carrier of Information -- Bonded Atoms from Information Theory -- Orbital Communication Theory of the Chemical Bond -- Part 4. CHEMICAL CONCEPTS FOR MOLECULAR STRUCTURE AND REACTIVITY -- Alternative Perspectives in Chemical Theories -- Coupling Between Electronic and Geometrical Structures -- Qualitative Approaches to Reactivity Phenomena.

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Subjects

Chimie Chimie quantique molecular structure Quantum chemistry Science -- Chemistry Science des matériaux Structure moléculaire

Writers

Nalewajski, Roman F.

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