Perspectives in Electronic Structure Theory

• Main Author: Nalewajski, Roman F. (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
• Subjects: Chemistry.; Chemistry, Physical and theoretical.; Quantum physics.; Atomic structure.; Molecular structure.; Spectra.; Solid state physics.; Quantum computers.; Spintronics.; Theoretical and Computational Chemistry.; Solid State Physics.; Quantum Physics.; Atomic/Molecular Structure and Spectra.; Quantum Information Technology, Spintronics.

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 o...

Table of Contents:

• Sources
• Mathematical apparatus
• Basic concepts and axioms
• Hydrogen-like atom
• Approximating N-electron Schrödinger equation
• Wave function methods
• Density-Functional Theory
• Bonded subsystems and chemical bonds
• Concepts for chemical reactivity
• Adiabatic coupling between electronic and geometric structures
• Elements of information theory
• Schrödinger equation as information principle
• Electron probabilities as carriers of information in molecules
• Bonded atoms from information theory
• Molecular communication systems
• Orbital communication theory of the chemical bond
• "Thermodynamic" description.