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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P. Piecuch, Wloch, M., Lodriguito, M., and Gour, J. R., “Non-iterative Coupled-Cluster Methods for Excited Electronic States”, in Progress in Theoretical Chemistry and Physics, vol. 15, 2006, pp. 45-106.
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.
P. Piecuch, Wloch, M., Dean, D. J., Gour, J. R., Hjorth-Jensen}, M. {, Kowalski, K., and Papenbrock, T., “Ab Initio Coupled-Cluster Study of O”, Physical Review Letters, vol. 94, 2005.
P. Piecuch, Wloch, M., Logriguito, M. D., and Gour, J. R., “Two New Classes of Non-Iterative Coupled-Cluster Methods Derived from the Method of Moments of Coupled-Cluster Equations”, Molecular Physics, vol. 104, no. 13 & 14, pp. 2149-2172, 2006.
P. Piecuch and Kowalski, K., “Extensive Generalization of Renormalized Coupled-Cluster Methods”, The Journal of Chemical Physics, vol. 122, no. 7, 2005.
P. Piecuch, Wloch, M., and Verandas, A. J. C., “Renormalized Coupled-Cluster Methods: Theoretical Foundations and Application to Potential Function of Water”, in Progress in Theoretical Chemistry and Physics, vol. 16, no. Part 1, 2007, pp. 63-121.
P. Piecuch, Wloch, M., Gour, J. R., and Kinal, A., “Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals”, Chemical Physics Letters, vol. 418, pp. 467–474, 2006.
P. Piecuch, Fan, {P. - D. }, and Kowalski, K., “Noniterative Corrections to Extended Coupled-Cluster Energies Employing the Generalized Method of Moments of Coupled-Cluster Equations”, Molecular Physics, vol. 103, no. 15 & 16, pp. 2191-2213, 2005.
P. Piecuch, Gour, J. R., and Wloch, M., “Left-Eigenstate Completely Renormalized Equation-of-motion Coupled-Cluster Methods: Review of Key Concepts, Extension to Excited States of Open-Shell Systems, and Comparison with Electron-Attached and ionized Approaches”, International Journal of Quantum Chemistry, vol. 109, no. 14, pp. 3268-3304, 2009.
P. Piecuch and Wloch, M., “Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian”, The Journal of Chemical Physics, vol. 123, no. 22, pp. 224105–10, 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, Gour, J. R., and Wloch, M., “Extension of the Active-Space Equation-of- Motion Coupled-Cluster Methods to Radical Systems: The EA-EOMCCSDt and IPEOMCCSDt Approaches”, International Journal of Quantum Chemistry, vol. 106, no. 14, pp. 2854-2874, 2006.
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, Wloch, M., Dean, D. J., Gour, J. R., Hjorth-Jensen}, M. {, Papenbrock, T., and Kowalski, K., “Ab Initio Coupled-Cluster Calculations for Nuclei Using Methods of Quantum Chemistry”, European Physics Journal A, vol. 25, no. 1, pp. 485-488, 2006.
P. Piecuch, Pimienta, I. S. O., Fan, P. - D., and Kowalski, K., “New Alternatives for Accurate Electronic Structure Calculations of Potential Energy Surfaces Involving Bond Breaking”, in Electron Correlation Methodology, vol. 958, Washington, DC: American Chemical Sociegy, 2007.
P. Piecuch, Dean, D. J., Jhorth-Jensen, M., Kowalski, K., Papenbrock, T., and Wloch, M., “Coupled Cluster Approaches to Nuclei, Ground States and Excited States”, Key Topics in Nuclear Structure, Proceedings of the 8th International Spring Seminar on Nuclear Physics. Paestum, Italy, 2005.
P. Piecuch, Dean, D. J., Gour, J. R., Hagen, G., Hjorth-Jensen}, M. {, Kowalski, K., Papenbrock, T., and Wloch, M., “Nuclear Structure Calculations with Coupled-Cluster Methods from Quantum Chemistry”, Nuclear Physics A, vol. 752, pp. 299-308, 2005.
P. Piecuch, Wloch, M., Gour, J. R., Dean, D. J., Hjorth-Jensen}, M. {, and Papenbrock, T., “Bridging Quantum Chemistry and Nuclear Structure Theory: Coupled-Cluster Calculations for Closed- and Open-Shell Nuclei”, American Institute of Physics, vol. 777. American Institute of Physics, Melville, NY, pp. 28-45, 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.
B. Pijanowski, Moore, N., Mauree, D., and Niyogi, D., “Evaluating error propagation in coupled land-atmosphere models”, Earth Interactions, vol. 15, 2011.
W. Pitchers, Pool, J. E., and Dworkin, I., “ALTITUDINAL CLINAL VARIATION IN WING SIZE AND SHAPE IN AFRICAN DROSOPHILA MELANOGASTER: ONE CLINE OR MANY?”, Evolution, vol. 67, pp. 438–452, 2012.
J. Pittner and Piecuch, P., “Method of Moments for the Continuous Transition Between the Brillouin-Wigner-Type and Rayleigh-Schrodinger-Type Multireference Coupled Cluster Theories”, Molecular Physics, vol. 107, no. 08-12, pp. 1209-1221, 2009.
I. Popov, Seifert, G., and Tománek, D., “Designing Electrical Contacts to ${\mathrm{MoS}}_{2}$ Monolayers: A Computational Study”, Phys. Rev. Lett., vol. 108, p. 156802, 2012.
J. Portman, Zhang, H., Makino, K., Ruan, C. Y., Berz, M., and Duxbury, P. M., “Untangling the contributions of image charge and laser profile for optimal photoemission of high-brightness electron beams”, Journal of Applied Physics, vol. 116, 2014.
C. G. Prichard and Bence, J. R., “Estimating wounding of lake trout by sea lamprey in the upper Great Lakes: Allowing for changing size-specific patterns”, Journal of Great Lakes Research, p. -, 2013.

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