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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A. Panahi and Feig, M., Conformational Sampling of Influenza Fusion Peptide in Membrane Bilayers as a Function of Termini and Protonation States, Journal of Physical Chemistry B, vol. 114, pp. 1407-1416, 2010.
T. Papenbrock, Dean, D. J., Gour, J. R., Hagen, G., Hjorth-Jensen}, M. {, and Wloch, M., Coupled Cluster Theory for Nuclei, International Journal of Modern Physics B, vol. 20, no. 30-31, pp. 5338-5345, 2006.
P. Papka, Sharpey-Schafer, J. F., Brown, B. A., Dinoko, T. S., Khaleel, E. A. M. A., Lawrie, E. A., Lawrie, J. J., Li, K. C. W., Majola, S. N. T., Richter, W. A., Shirinda, O., Stankiewicz, M. A., Vymers, P., and Wiedeking, M., High-resolution two-proton stripping to 2p-1h 7/2− states via the 59Co(3He,nγ)61Cu reaction, THE EUROPEAN PHYSICAL JOURNAL A, vol. 50, 2014.
L. Pei, Moore, N., Zhong, S., Luo, L., Hyndman, D. W., Heilman, W. E., and Gao, Z., WRF Model Sensitivity to Land Surface Model and Cumulus Parameterization under Short-Term Climate Extremes over the Southern Great Plains of the United States, Journal of Climate, vol. 27, no. 20, 2014.
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.
P. Piecuch, Gour, J. R., Hjorth-Jensen}, M. {, Wloch, M., and Dean, D. J., Coupled-Cluster Calculations for Valence Systems around 16 O, Physical Review C, vol. 74, no. 2, p. 18 pages, 2006.
P. Piecuch, Kowalski, K., Hirata, S., Wloch, M., and Windus, T. L., Active-Space Coupled-Cluster Study of Electronic States of Be 3, The Journal of Chemical Physics, vol. 123, no. 7, p. 6 pages, 2005.
P. Piecuch, Lodriguito, M. D., Kowalski, K., and Wloch, M., Non-Iterative Coupled- Cluster Methods Employing Multi-Reference Perturbation Theory Wave Functions, Journal of Molecular Structure: THEOCHEM, vol. 771, no. 1-3, pp. 89-104, 2006.
P. Piecuch, Gour, J. R., and Wloch, M., Active-Space Equation-of=Motion Coupled-Cluster Methods for Excited States of Radicals and Other Open-Shell Systems: EA-EOMCCSDt and IP-EOMCCSDt, Journal of Chemical Physics, vol. 123, no. 13, p. 14 pages, 2005.
P. Piecuch, Hirata, S., Kowalski, K., Fan, P. - D., and Windus, T. L., Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods, International Journal of Quantum Chemistry, vol. 106, no. 1, pp. 79–97, 2006.
P. Piecuch and Kinal, A., Is the Mechanism of the [2+2] Cycloaddition of Cyclopentyne to Ethylene Concerted or Biradical? A Completely Renormalized Coupled Cluster Study, The Journal of Physical Chemistry, vol. 110, no. 2, pp. 367-378, 2006.
P. Piecuch, Kowalski, K., Pimienta, I. S. O., Fan, P. - D., Lodriguito, M. D., McGuire}, M. J. {, Kucharski, S. A., Kuś, T., and Musial, M., Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states, Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 112, pp. 349–393, 2004.
P. Piecuch, Coussan, S., Ferro, Y., Trivella, A., Roubin, P., Wieczorek, R., Manca, C., Kowalski, K., Wloch, M., Kucharski, S., and Musial, M., Experimental and Theoretical UV Characterizations of Acetyloacetone and its Isomers, The Journal of Physical Chemistry A, vol. 110, no. 11, pp. 3920-3926, 2006.
P. Piecuch, Wloch, M., Gour, J. R., and Kowalski, K., Extension of Renormalized Coupled-Cluster Methods Including Triple Excitations to Electronic States of Open-Shell Molecules, The Journal of Chemical Physics, vol. 122, no. 21, 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 and Sherrill, C. D., A Comparison of Renormalized Coupled-Cluster and Multireference Methods with Full Configuration Interaction Benchmarks, Journal of Chemical Physics, vol. 122, no. 12, 2005.
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., 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, 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 and Kowalski, K., Extensive Generalization of Renormalized Coupled-Cluster Methods, The Journal of Chemical Physics, vol. 122, no. 7, 2005.

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