Full Paper

Local hartree–fock orbitals using a three-level optimization strategy for the energy

  1. Ida-Marie Høyvik1,*,
  2. Branislav Jansik2,
  3. Kasper Kristensen1,
  4. Poul Jørgensen1

Article first published online: 1 MAR 2013

DOI: 10.1002/jcc.23256

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 34, Issue 15, pages 1311–1320, 5 June 2013

Additional Information

How to Cite

Høyvik, I.-M., Jansik, B., Kristensen, K. and Jørgensen, P. (2013), Local hartree–fock orbitals using a three-level optimization strategy for the energy. J. Comput. Chem., 34: 1311–1320. doi: 10.1002/jcc.23256

Author Information

  1. 1

    Department of Chemistry, qLEAP Center for Theoretical Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus, Denmark

  2. 2

    VSB-TUO, 17. listopadu 15/2172, 798 33 Ostrava – Poruba, Czech Republic

*Department of Chemistry, qLEAP Center for Theoretical Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus, Denmark

Publication History

  1. Issue published online: 25 APR 2013
  2. Article first published online: 1 MAR 2013
  3. Manuscript Accepted: 3 FEB 2013
  4. Manuscript Revised: 31 JAN 2013
  5. Manuscript Received: 13 DEC 2012

Funded by

  • European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013). Grant Number: n.291371
  • Lundbeck Foundation, the Danish Center for Scientific Computing (DCSC)

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