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
7. Ionic and Covalent Binding
  •  Introduction
  •  Classification of Chemical Bonds
  •  Molecular Charge Distribution of Homonuclear Diatomic Molecules
  •  Dipole Moments and Polar Bonds
  •  Electronegativity
  •  Interaction Between Molecules
  •  Literature References
  •  Further Reading
  •  Problems
  •  Appendix
8.  Molecular Orbitals
Table of Contour Values
 

Literature References

More detailed discussions of the molecular charge distributions and the forces exerted on the nuclei will be found in the references given below. The sources of the wave functions used in the calculation of the density distributions are also given in these references.
 
1. R. F. W. Bader, W. H. Henneker and P. E. Cade, J. Chem. Phys. 46, 3341 (1967). (Homonuclear diatomic molecules.)
2. R. F. W. Bader, I. Keaveny and P. E. Cade, J. Chem. Phys. 47, 3381 (1967). (The second-row diatomic hydrides, LiH ® HF.)
3. R. F. W. Bader and A. D. Bandrauk, J. Chem. Phys. 49, 1653 (1968). (The 12- and 14-electron isoelectron series, C2, BeO, LiF and No CO BF.) 
4. P. E. Cade, R. F. W. Bader, I. Keaveny and W. H. Henneker, J. Chem. Phys. 50, 5313 (1969). (The third-row diatomic hydrides NaH ® HC1.)