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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2008
J. Zheng, Gour, J. R., Lutz, J. J., Wloch, M., Piecuch, P., and Truhlar, D. G., Application of Renormalized Coupled- Cluster Methods to Potential Function of Water, Theoretical Chemistry Accounts: Theory, Computation, and Modeling (THEORETICA CHIMICA ACTA), vol. 120, no. 1-3, pp. 59-78, 2008.
J. Zheng, Gour, J. R., Lutz, J. J., Wloch, M., Piecuch, P., and Truhlar, D. G., A Comparative Assessment of the Perturbative and Renormalized Coupled Cluster Theories with a Non-iterative Treatment of Triple Excitations for Thermochemical Kinetics, Including a Study of Basis Set and Core Correlation E, The Journal of Chemical Physics, vol. 128, no. 4, 2008.
D. J. Whalen, van Veelen, B., O'Shea, B. W., and Norman, M. L., The Destruction of Cosmological Minihalos by Primordial Supernovae, \apj, vol. 682, pp. 49-67, 2008.
D. J. Whalen, O'Shea, B. W., Smidt, J., and Norman, M. L., How the First Stars Regulated Local Star Formation. I. Radiative Feedback, \apj, vol. 679, pp. 925-941, 2008.
C. J. Cramer, Gour, J. R., Kinal, A., Wloch, M., Piecuch, P., Shahi, A. R. M., and Gagliardi, L., Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Diozygen Complexes, The Journal of Physical Chemistry, vol. 112, no. 16, pp. 3754-3767, 2008.
2007
M. Horoi, Gour, J. R., Wloch, M., Lodriguito, M. D., Brown, B. A., and Piecuch, P., Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei, Physical Review Lettters, vol. 98, no. 11, p. 4 pages, 2007.
G. Hagen, Papenbrock, T., Dean, D. J., Schwenk, A., NHogga, A., Wloch, M., and Piecuch, P., Coupled-Cluster Theory for Three-Body Hamiltonians, Physical Review C, vol. 76, no. 3, p. 11 pages, 2007.
M. Wloch, Gour, J. R., and Piecuch, P., Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open- Shell Systems: A Benchmark Study, The Journal of Physical Chemistry A, vol. 111, no. 44, pp. 11359-11382, 2007.
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.
K. Starosta, Dewald, A., Dunomes, A., Adrich, P., Amthor, A. M., Baumann, T., Bazin, D., Bowen, M., Brown, B. A., Chester, A., Gade, A., Galaviz, D., Glasmacher, T., Ginter, T., Hausmann, M., Horoi, M., Jolie, J., Melon, B., Miller, D., Moeller, V., Norris, R. P., Pissulla, T., Portillo, M., Rother, W., Shimbara, Y., Stolz, A., Vaman, C., Voss, P., Weisshaar, D., and Zelevinsky, V., Shape and Structure of N = Z 64Ge: Electromagnetic Transition Rates from the Application of the Recoil Distance Method to a Knockout Reaction, PHYSICAL REVIEW LETTERS, vol. 99, 2007.
N. Moore, Walker, R., Arima, E., and da Silva, R. Ramos, Uncertainty and the changing hydroclimatology of the Amazon, Geophysical Research Letters, vol. 34, 2007.
2006
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, 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.
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. 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.
J. R. Gour, Piecuch, P., Hjorth-Jensen}, M. {, Wloch, M., and Dean, D. J., Coupled-cluster calculations for valence systems around O16, Physical Review C, vol. 74, p. 024310, 2006.
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.

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