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, 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, 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, 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, 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 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, 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, 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 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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 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.
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. 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.
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.
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.

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