Automated symbolic algebra for quantum chemistry

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Article number036
Pages (from-to)249-253
Number of pages5
JournalJournal of Physics: Conference Series
Volume46
Issue number1
DOIs
StatePublished - Oct 1 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'Automated symbolic algebra for quantum chemistry'. Together they form a unique fingerprint.

  • Cite this