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 and McGuire}, M. J. {, Balancing Dynamic and Non-Dynamic Correlation for Diradical and Aromatic Transition States: A Renormalized Coupled-Cluster Study of the Cope Rearrangement of 1,5-Hexadiene, Journal of the American Chemical Society, vol. 127, no. 8, pp. 2608-2614, 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.
P. Piecuch, Chaudhuri, R. K., Freed, K. F., Hose, G., Kowalski, K., Wloch, M., Chattopadhyay, S., Mukherjee, D., Rolik, R., Szabados, A., Toth, G., and Surjan, P. R., Comparison of Low-Order Multireference Many-Body Perturbation Theories, Journal of Chemical Physics, vol. 122, no. 13, p. 9 pages, 2005.
P. Piecuch, Olson, R. M., Varganov, S., Gordon, M. S., Chretien, S., Metiu, H., Kowalski, K., Kucharski, S. A., and Musial, M., Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters, Journal of the American Chemical Society, vol. 127, no. 3, pp. 1049-1052, 2005.
P. Piecuch, Olson, R. M., Varganov, S., Gordon, M. S., Chretien, S., Metiu, H., Kowalski, K., Kucharski, S. A., and Musial, M., Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters, Journal of the American Chemical Society, vol. 127, no. 3, pp. 1049-1052, 2005.

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