George Garfield Hall was born March 5th, 1925 in Belfast,
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
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.
Interview with Professor G.G. Hall
Bonn, Germany, July 18, 2003
G.G. Hall talks 4 min about his SCF theory, the one equivalent to Roothaan's.
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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: