Sherrill, C. David
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School of Computational Science and Engineering
School established in May 2010
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27 results
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Item Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA-intercalator interactions(Georgia Institute of Technology, 2011-11) Hohenstein, Edward G.; Parrish, Robert M.; Sherrill, C. David; Turney, Justin M.; Schaefer, Henry F., IIIItem Basis set convergence of the coupled-cluster correction, delta(CCSD(T))(MP2): Best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases(Georgia Institute of Technology, 2011-11) Marshall, Michael S.; Burns, Lori A.; Sherrill, C. DavidItem Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory(Georgia Institute of Technology, 2011-09) Bozkaya, Uğur; Turney, Justin M.; Yamaguchi, Yukio; Schaefer, Henry F., III; Sherrill, C. DavidItem Challenges of laser-cooling molecular ions(Georgia Institute of Technology, 2011-06) Brown, Kenneth R.; Nguyen, Jason H.V.; Viteri, C. Ricardo; Hohenstein, Edward G.; Sherrill, C. David; Odom, BrianItem Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals(Georgia Institute of Technology, 2011-06) Burns, Lori A.; Vazquez-Mayagoitia, Alvaro; Sumpter, Bobby G.; Sherrill, C. DavidItem The energy computation paradox and ab initio protein folding(Georgia Institute of Technology, 2011-04) Faver, John C.; Benson, Mark L.; He, Xiao; Roberts, Benjamin P.; Wang, Bing; Marshall, Michael S.; Sherrill, C. David; Merz, Kenneth M., Jr.Item The computational chemistry end station(Georgia Institute of Technology, 2010-12-31) Sherrill, C. DavidItem Theoretical models for potential energy landscapes of challenging chemical systems(Georgia Institute of Technology, 2010-12-31) Sherrill, C. DavidItem Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory(Georgia Institute of Technology, 2010-07) Hohenstein, Edward G.; Sherrill, C. DavidItem Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes(Georgia Institute of Technology, 2010-05) Hohenstein, Edward G.; Sherrill, C. David
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