Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation
Article first published online: 28 DEC 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 10, pages 854–861, 5 April 2013
How to Cite
Ferenczy, G. G. (2013), Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation. J. Comput. Chem., 34: 854–861. doi: 10.1002/jcc.23210
- Issue published online: 13 MAR 2013
- Article first published online: 28 DEC 2012
- Manuscript Accepted: 23 NOV 2012
- Manuscript Revised: 8 NOV 2012
- Manuscript Received: 29 AUG 2012
- TÁMOP-4.2.2.C-11/1/KONV-2012-0010 “Supercomputer—the national virtual laboratory” (European Union and European Regional Fund)
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