An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S
Sherrill, C. David, Takatani, Tait, Hohenstein, Edward G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2009)
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Techniques for high-performance construction of Fock matrices
Huang, Hua, Sherrill, C David, Chow, Edmond
Published in The Journal of chemical physics (14.01.2020)
Published in The Journal of chemical physics (14.01.2020)
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Tensor hypercontraction. II. Least-squares renormalization
Parrish, Robert M, Hohenstein, Edward G, Martínez, Todd J, Sherrill, C David
Published in The Journal of chemical physics (14.12.2012)
Published in The Journal of chemical physics (14.12.2012)
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A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
Poole, David, Williams-Young, David B, Jiang, Andy, Glick, Zachary L, Sherrill, C David
Published in The Journal of chemical physics (07.08.2024)
Published in The Journal of chemical physics (07.08.2024)
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Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
Burns, Lori A, Vázquez-Mayagoitia, Alvaro, Sumpter, Bobby G, Sherrill, C David
Published in The Journal of chemical physics (28.02.2011)
Published in The Journal of chemical physics (28.02.2011)
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Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions
Thanthiriwatte, Kanchana S, Hohenstein, Edward G, Burns, Lori A, Sherrill, C. David
Published in Journal of chemical theory and computation (11.01.2011)
Published in Journal of chemical theory and computation (11.01.2011)
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Journal Article
Appointing silver and bronze standards for noncovalent interactions: a comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches
Burns, Lori A, Marshall, Michael S, Sherrill, C David
Published in The Journal of chemical physics (21.12.2014)
Published in The Journal of chemical physics (21.12.2014)
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Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions
Hohenstein, Edward G, Parrish, Robert M, Sherrill, C David, Martínez, Todd J
Published in The Journal of chemical physics (14.12.2012)
Published in The Journal of chemical physics (14.12.2012)
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