Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born-oppenheimer dynamics
Version of Record online: 8 MAR 2010
Copyright © 2002 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Israel Journal of Chemistry
Special Issue: Computational Chemistry of Quantum Mechanical Processes
Volume 42, Issue 2-3, pages 191–202, April 2003
How to Cite
Iyengar, S. S., Schlegel, H. B., Voth, G. A., Millam, J. M., Scuseria, G. E. and Frisch, M. J. (2002), Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born-oppenheimer dynamics. Isr. J. Chem., 42: 191–202. doi: 10.1560/GLW2-8NVQ-4N6T-6C92
- Issue online: 8 MAR 2010
- Version of Record online: 8 MAR 2010
- Manuscript Revised: 15 JAN 2003
- Manuscript Received: 18 OCT 2002
- Office of Naval Research (GAV)
- Natural Science Foundation. Grant Number: (CHE-9982156 and CHE-0131157)
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