Perspectives in Electronic Structure Theory

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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Nalewajski, Roman F. (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
Edición:1st ed. 2012.
Temas:
Chemistry, Physical and theoretical.
Condensed matter.
Quantum physics.
Atomic structure  .
Molecular structure .
Spintronics.
Theoretical Chemistry.
Condensed Matter Physics.
Quantum Physics.
Atomic and Molecular Structure and Properties.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • 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.

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