Presented as an invited talk at ISTCP VII, Waseda, Tokyo on 5th September 2011.
Computational Quantum Chemistry
Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation†
Version of Record online: 23 FEB 2012
Copyright © 2011 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics
Volume 113, Issue 3, pages 277–285, 5 February 2013
How to Cite
Hoggan, P. E. (2013), Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation. Int. J. Quantum Chem., 113: 277–285. doi: 10.1002/qua.24028
- Issue online: 17 DEC 2012
- Version of Record online: 23 FEB 2012
- Manuscript Accepted: 9 JAN 2012
- Manuscript Revised: 3 JAN 2012
- Manuscript Received: 28 NOV 2011
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