Early ... Intro Picture

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George G. Hall

Hall in 1950

             G.G. Hall in 1950

                             George Garfield Hall was born March 5th, 1925 in Belfast, Northern Ireland. He graduated with a B. Sc. in 1946 with Firsts in both pure mathematics and mathematical physics, he arrived at Cambridge as a research student of Lennard-Jones in 1947 and got his Ph.D. there in 1950? . Lectured first in Cambridge and then, from 1955-1962 at the Imperial College, London.

Following a year's stay at Uppsala with Löwdin, he then became Professor of Mathematics at Nottingham University in 1962, in a department which also allowed the involvment with quantum chemistry in its applied section.

While he formally remained at this university till the present time (12/2001) he had various leaves of absence in Kansas City and Munich.

He now is Emeritus Professor at Nottingham University.

Senior Research Fellow, Shell Centre for Mathematical Education, Nottingham University.Sc.D. (Cambridge); D. Eng. (Honoris Causa, Kyoto); Theochem. Vol. 80.
Author of: Matrices and Tensors, Pergamon Press, 1963;
Applied Group Theory, Longman, 1967;
Molecular Solid State Physics, Springer, 1991.
More than 180 papers.

Hall in  2001

Interview with Professor G.G. Hall

Bonn, Germany, July 18, 2003

      Read it here.

G.G. Hall talks 4 min about his SCF theory, the one equivalent to Roothaan's.

Try any of those:
Encoded with DivX4 : Hall1-divXmpg4.divx (5 MB)
This works perfectly with the DivX-decoder which is presently (3/2004) Version 5. The DivX decoder may be installed from here (look for: Standard DivX Codec (FREE)), 5 MB, - it behaves most likely well with you system, is not agressive, no problems known. M$'s Media Player 9 might also show it - don't forget that it tells mother M$ a bit about your system while being online.

Encoded with MicroCrap4 (source unknown) : Hall2-Mcrap4.mpg (5 MB)

Encoded with Indeo 504 : Hall4-mpg4-Ind504.mpg (22 MB)
The Indeo version might no longer work with your system since the decoder is no longer included in M$'s Windows (Media Player 6-8), starting with XP. In the case you will have to buy it from Ligos Company.

There also exist two autobiographies by G.G. Hall:

G.G. Hall, Computational Quantum Chemistry - then and now.
J. Molec. Struct. (Theochem) 234, 13-18 (1991).        Read it   here!

G.G. Hall, Recollections and Reflections.
Int. J. Quant. Chem. 74, 439-453 (1999).        Read that one   here!

Of historical interest :

G.G. Hall The Lennard-Jones paper of 1929 and the foundations of Molecular Orbital Theory.
Adv. Quant. Chem. 22, 1 (1991).        View it   here!

G.G. Hall Samuel Francis Boys - 1911-1972.
Molecular Pysics, 88, 309-314 (1996).        That one is   here!

In his personal reviews G.G. Hall states his many research themes :

  • Localized equivalent orbitals
  • Ionization potentials
  • Hückel theory and graph theory
  • Solid state
  • OPIT computer program
  • Perturbation theory
  • Solvation
  • Reaction surfaces
  • Point charges
  • Localization
  • Mathematical ideas
  • Mathematical education

G.G. Hall himself states his contributions in the following manner:

                     Hall in his 50ies              Hall in his 50ies With Sir John Lennard-Jones, I worked on the rigorous formulation of the Hartree-Fock theory for molecules. This included the derivation of the molecular orbital equations in matrix form. The use of localized equivalent orbitals as a link between calculated quantities and chemical models was established and led to a semi-empirical theory of molecular ionization potentials.

The concept of corresponding orbitals was defined, with A.T. Amos, and proved useful for unrestricted Hartree-Fock theory. A variation principle for the Schrödinger equation using a Green's function was proposed which is superior to the usual one but more difficult to apply.

I showed how accurate representations of the electrostatic field within and around a molecule could be derived using, as a variation criterion, the minimum error in the electric field. In particular, using a theorem on the asymptotic form of integrals over Gaussians, this leads to improved point charge models. Electrostatic treatments of solvent effects have been explored.

With K. Collard, I showed how differential topology could be applied to classify the critical points in the electron density and follow their creation in the course of molecular formation.

In the graph theory of hydrocarbons, I have exploited the alternant property to find more efficient methods of calculation. The graphical invariants are natural quantities with which to analyse the total energy. This investigation continued to produce unexpected results.

In my book, I proved that all the results of group theory, needed for molecular applications, could be derived, very simply, using only the group character algebra.

                              This text and © originates from IAQMS.

Here is a tricky paper of Hall's, little referred to. Yet Hall had developed a method equivalent to what Roothaan did at about the same time. So this website asked Hall which paper that was, and Hall gave the following reference:

G.G. Hall, The molecular orbital theory of chemical valency. VIII - A Method of calculating ionization potentials.

Proc. Roy. Soc. [London], A 205, 541-552 (1951)

This paper may be viewed in 2 fashions:
  • One chunk, 1.5 MB, easy to read
  • ................................. choose this
  • Page-by-page version, about 130 KB per page
  • ............... use that one

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Copyright © Jan. 5, 2002 by U. Anders, Ph.D.
e-mail Udo Anders : udo39@t-online.de

Last updated : March 7, 2004 - 15:15 CET