Journal of Physics Conference Series

Automated symbolic algebra for quantum chemistry

So Hirata

Published Sep 1, 2006• 8 citations

Abstract

Today, state-of-the-art computational methods and programs for quantum theory for electron correlation may not be developed entirely manually. They are often constructed with the essential aid of symbolic algebra systems automating lengthy and error-prone mathematical derivation and computer implementation, inevitable in these developments. Recent progress in this new paradigm of chemical theory development—complete automation—is reviewed.

DOI: 10.1088/1742-6596/46/1/036

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