Q-Chem 2.0: A High-Performance Ab Initio Electronic Structure Program Package

Jing Kong, Christopher A. White, Anna I. Krylov, David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T.B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. DombroskiHolger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F.C. Byrd, Troy Van Voorhis, Manabu Oumi, S. O. Hirata, Chao Ping Hsu, Naoto Ishikawa, Jan Florian, Arieh Warshel, Benny G. Johnson, Peter M.W. Gill, Martin Head-Gordon, John A. Pople

Research output: Contribution to journalArticlepeer-review

Original languageEnglish (US)
Pages (from-to)1532-1548
Number of pages17
JournalJournal of Computational Chemistry
Volume21
Issue number16
DOIs
StatePublished - Dec 2000
Externally publishedYes

ASJC Scopus subject areas

  • General Chemistry
  • Computational Mathematics

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