Chapter 6. The Dirac Hydrogen Atom

  1. Prof. Dr. Markus Reiher and
  2. Dr. Alexander Wolf

Published Online: 22 JUN 2009

DOI: 10.1002/9783527627486.ch6

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

How to Cite

Reiher, M. and Wolf, A. (2009) The Dirac Hydrogen Atom, in Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527627486.ch6

Author Information

  1. ETH Zuerich, Laboratory for Physical Chemistry, Hoenggerberg Campus, Wolfgang-Pauli-Strasse 10, 8093 Zuerich, Switzerland

Publication History

  1. Published Online: 22 JUN 2009
  2. Published Print: 14 JAN 2009

ISBN Information

Print ISBN: 9783527312924

Online ISBN: 9783527627486

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Keywords:

  • Dirac hydrogen atom;
  • electronic motion;
  • nuclear central field;
  • Schrödinger hydrogen atom;
  • total angular momentum;
  • angular coordinates separation;
  • Dirac Hamiltonian;
  • radial Dirac equation;
  • nonrelativistic limit;
  • energy reference;
  • wave functions;
  • energy Eigenvalues;
  • coulomb potential;
  • finite nuclear size effects;
  • momentum space representation

Summary

The simplest system of relevance for molecular sciences is the hydrogen atom. The quantum mechanical equation of motion for an electron in the attractive (external) potential of a positively charged atomic nucleus can be solved analytically. From these analytical results many important consequences follow, which make the description of many-electron atoms and molecules feasible (like the choice of proper basis functions for the expansion of molecular spinors).