An Introduction to the Electronic Structure of Atoms and Molecules

Dr. Richard F.W. Bader
Professor of Chemistry / McMaster University / Hamilton, Ontario



 Preface
1.  The Nature of the Problem
2.  The New Physics
3.  The Hydrogen Atom
4.  Many-Electron Atoms
5.  Electronic Basis for the Properties of the Elements
6. The Chemical Bond
  •  Introduction
  •  An Electrostatic Interpretation of the Chemical Bond
  •  The Effect of the Pauli Principle on Chemical Binding
  •  The Quantum Mechanical Explanation of Valency
  •  Molecular Geometry
  •  Literature References
  •  Problems
7.  Ionic and Covalent Binding
8.  Molecular Orbitals
Table of Contour Values


Literature references
 
1. 

 

 The  electrostatic  method  used  in  this  book  for  the  interpretation  of chemical binding is based on the Hellmann-Feynman theorem. The theorem was proposed independently by both H. Hellmann and R. P. Feynman. Feynman's account of the theorem anticipates many of the applications to chemistry including the electrostatic interpretation of van der Waals forces. R. P. Feynman, Phys. Rev. 56, 340 (1939).
2. The wave functions used in the calculation of the density distributions for H2 were determined by G. Das and A. C. Wahl, J. Chem. Phys. 44, 87 (1966). These wave functions include configuration interaction and hence provide suitable descriptions for the H2 systems for large values of the internuclear separation. The wave functions for He2 are from N. R. Kestner, J. Chem. Phys. 48, 252 (1968).