New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

P. Pritchard, Benjamin; Altarawy, Doaa; Didier, Brett; Gibson, Tara; L. Windus, Theresa

doi:10.1021/acs.jcim.9b00725

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New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

Published in Journal of Chemical Information and Modeling • Oct 10, 2019

Authors:

Benjamin P. Pritchard

Doaa Altarawy

Brett Didier

Abstract

The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing mode...

Subject

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Computer science

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