Publications

The following are publications made possible by iCER resources. MSU faculty that would like to highlight the output of their research that's benefited from iCER resources are invited to contact us.

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2005

P. Piecuch, Nangia, S., Truhlar, D. G., and McGuire}, M. J. {, “Can a Single-Reference Approach Provide a Balanced Description of Ground and Excited States? A Comparison of the Completely Renormalized Equation-of-the-Motion Coupled-Cluster Method with Multi-Reference Quasi-Degenerate Perturbation Theory Near a Conical”, Journal of Chemical Physics A, vol. 109, no. 51, pp. 11643-11646, 2005.

2008

J. Zheng, Gour, J. R., Lutz, J. J., Wloch, M., Piecuch, P., and Truhlar, D. G., “Application of Renormalized Coupled- Cluster Methods to Potential Function of Water”, Theoretical Chemistry Accounts: Theory, Computation, and Modeling (THEORETICA CHIMICA ACTA), vol. 120, no. 1-3, pp. 59-78, 2008.

J. Zheng, Gour, J. R., Lutz, J. J., Wloch, M., Piecuch, P., and Truhlar, D. G., “A Comparative Assessment of the Perturbative and Renormalized Coupled Cluster Theories with a Non-iterative Treatment of Triple Excitations for Thermochemical Kinetics, Including a Study of Basis Set and Core Correlation E”, The Journal of Chemical Physics, vol. 128, no. 4, 2008.

2009

P. Piecuch, Zhao, Y., and Truhlar, D. G., “Thermochemical Kinetics for Multi-reference Systems: Addition Reactions of Ozone”, Journal of Physical Chemistry A, vol. 113, no. 19, pp. 5786-5799, 2009.