John A. Pople has
developed computational methods in chemistry.
These are based on different descriptions of
the wave function in the Schrödinger
equation. He has created a theoretical model
chemistry in which a series of increasingly
refined approximations systematically
approaches the exact solution to the
quantummechanical equations. In this way it
has become possible to control the accuracy of
the calculations. The methods were made
available to researchers through the GAUSSIAN
computer program, today used for
quantumchemical computation within all areas
of chemistry.
