Wave-function methods

 

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 quantum-mechanical 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 quantum-chemical computation within all areas of chemistry.

 

To cite this section
MLA style: Wave-function methods. NobelPrize.org. Nobel Prize Outreach 2025. Fri. 5 Dec 2025. <https://www.nobelprize.org/prizes/chemistry/1998/8800-wave-function-methods/>

Streams during Nobel Week

Watch the 2025 Nobel Prize lectures, Nobel Week Dialogue, the prize award ceremonies in Oslo and Stockholm and Nobel Peace Prize Forum here at nobelprize.org.

Explore prizes and laureates

Look for popular awards and laureates in different fields, and discover the history of the Nobel Prize.