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Neither Physics nor ChemistryA History of Quantum Chemistry$
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Kostas Gavroglu and Ana Simões

Print publication date: 2011

Print ISBN-13: 9780262016186

Published to MIT Press Scholarship Online: August 2013

DOI: 10.7551/mitpress/9780262016186.001.0001

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Quantum Chemistry qua Programming: Computers and the Cultures of Quantum Chemistry

Quantum Chemistry qua Programming: Computers and the Cultures of Quantum Chemistry

Chapter:
(p.186) (p.187) 4 Quantum Chemistry qua Programming: Computers and the Cultures of Quantum Chemistry
Source:
Neither Physics nor Chemistry
Author(s):

Kostas Gavroglu

Ana Simões

Publisher:
The MIT Press
DOI:10.7551/mitpress/9780262016186.003.0005

Two conferences, the first held in 1959 in Boulder, Colorado, and the second in 1970 in Bethesda, Maryland, heralded a new period in quantum chemistry: the use of computers. The 1959 conference focused on the potential of the computer as an indispensable tool for quantum chemists, while the 1970 conference highlighted the remarkable development of hardware and software and the critical role of quantum chemistry in the development of computer technology as well as its growing importance within chemistry. Two active European groups, one in Paris and one in Uppsala, emerged after the war that dramatically broadened the scope of quantum chemistry. The first was the Centre de Chimie Théorique de France established by Raymond Daudel, and the second was Per-Olov Löwdin’s group. This chapter discusses the work of both groups, the publication of textbooks on quantum chemistry, the 1951 Shelter Island Conference in New York, the 1953 Nikko Symposium in Japan, and the work of John Clarke Slater and his group on solid-state and molecular theory.

Keywords:   Raymond Daudel, quantum chemistry, computers, Centre de Chimie Théorique de France, Per-Olov Löwdin, textbooks, John Clarke Slater, 1953 Nikko Symposium, molecular theory, 1951 Shelter Island Conference

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