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.

Export 548 results:
Author Title Type [ Year(Asc)]
2006
S. N. Liddick, Mantica, P. F., Brown, B. A., Carpenter, M. P., Davies, A. D., Horoi, M., Janssens, R. V. F., Morton, A. C., Mueller, W. F., Pavan, J., Schatz, H., Stolz, A., Tabor, S. L., Tomlin, B. E., and Wiedeking, M., “Half-life and spin of 60Mng”, Physical Review C, vol. 73, no. 4, p. 044322, 2006.
S. N. Liddick, Mantica, P. F., Brown, B. A., Carpenter, M. P., Davies, A. D., Horoi, M., Janssens, R. V. F., Morton, A. C., Mueller, W. F., Pavan, J., Schatz, H., Stolz, A., Tabor, S. L., Tomlin, B. E., and Wiedeking, M., “Half-life and spin of 60Mng”, PHYSICAL REVIEW C, vol. 73, no. 4, 2006.
P. - D. Fan and Piecuch, P., “Intriguing Accuracies of the Exponential Wave Function Expansions Exploiting Finite Two-Body Correlation Operators in Calculations for Many-Electron Systems”, Journal of Molecular Structure: THEOCHEM, vol. 768, no. 1-3, pp. 3-16, 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.
S. Tanizaki and Feig, M., “Molecular Dynamics Simulations of Large Integral Membrane Proteins with an Implicit Membrane Model”, The Journal of Physical Chemistry B, vol. 110, pp. 548–556, 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.
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.
M. Horoi, Brown, B. A., Otsuka, T., Honma, M., and Mizusaki, T., “Shell model analysis of the 56Ni spectrum in the full pf model space”, PHYSICAL REVIEW C, vol. 73, no. 6, 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.
C. J. Cramer, Kinal, A., Wloch, M., Piecuch, P., and Gagliardi, L., “Theoretical Characterization of End-on and Side-on Peroxide Coordination in Ligated Cu2O2 Models”, The Journal of Physical Chemistry A, vol. 110, no. 40, pp. 11557-11568, 2006.
C. J. Cramer, Wloch, M., Piecuch, P., Puzzarini, C., and Gagliardi, L., “Theoretical Models on the Cu2O2 Torture Track. Mechanistic Implications for Oxytyrosinase and Small-molecule Analogs”, The Journal of Physical Chemistry A, vol. 110, pp. 1991–2004, 2006.
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. - D. Fan and Piecuch, P., “The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods”, Advances in Quantum Chemistry, vol. 51, pp. 1-57, 2006.
2005
M. Włoch, Dean, D. J., Gour, J. R., Hjorth-Jensen}, M. {, Kowalski, K., Papenbrock, T., and Piecuch, P., “Ab Initio Coupled-Cluster Study of 16O”, Physical Review Letters, vol. 94, no. 21, p. 212501, 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, 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., 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.
J. R. Gour, Piecuch, P., 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}”, The Journal of Chemical Physics, vol. 123, no. 13, pp. 134113–14, 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, 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, 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 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, 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.
“Coupled-Cluster Calculations for Ground and Excited States of Closed- and Open-Shell Nuclei Using Methods of Quantum Chemistry”, Journal of Physics G: Nuclear and Particle Physics, vol. 31, no. 8, 2005.

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