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 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, 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, 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., 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.

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, 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, 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.

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.

N. V. Priezjev, “Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures”, J. Chem. Phys., vol. 135, 2011.

N. V. Priezjev, “Rate-dependent slip boundary conditions for simple fluids”, Physical Review E, vol. 75, no. 5, p. 51605, 2007.

N. V. Priezjev, “Shear rate threshold for the boundary slip in dense polymer films”, Phys. Rev. E, vol. 80, no. 3, p. 11 Pages, 2009.

N. V. Priezjev, “Effect of surface roughness on rate-dependent slip in simple fluids”, The Journal of Chemical Physics, vol. 127, no. 14, p. 144708, 2007.

N. V. Priezjev, “Heterogeneous relaxation dynamics in amorphous materials under cyclic loading”, Physical Review E, vol. 87, no. 5, 2013.

N. V. Priezjev, “Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions”, Microfluidics and Nanofluidics, vol. 14, no. 1-2, 2013.

N. V. Priezjev, “Relationship between induced fluid structure and boundary slip in nanoscale polymer films”, Physical Review E, vol. 82, 2010.

N. V. Priezjev, “Interfacial friction between semiflexible polymers and crystalline surfaces”, J. Chem. Phys., vol. 136, 2012.

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Z. Rak, Mahanti, S. D., Mandal, K. C., and Fernelius, N. C., “Theoretical studies of defect states in GaTe”, Journal of Physics: Condensed Matter, vol. 21, p. 015504, 2009.

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