John Pople

The Development of Theoretical Chemistry


Abstract

The development of theoretical model chemistries is reviewed, beginning with qualitative independent-electron treatments. Inclusion of electron interaction in detailed form is traced from earlier treatments based on the zero-differential overlap approximation to modern ab initio techniques which handle integral evaluation precisely and incorporate the principal effects of electron correlation. Recent models have achieved a high level of success in the reproduction of experimental energy data. Some chemical applications are described.


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