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Journal of Chemical Theory and Computation|October 13, 2025
Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 MethodsConner Masteran, Bimal Gaudel, Edward F ValeevThe Journal of Chemical Physics|October 2, 2020
Efficient evaluation of exact exchange for periodic systems via concentric atomic density fittingXiao Wang, Cannada A Lewis, Edward F ValeevThe Journal of Chemical Physics|January 5, 2011
Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2Xinchuan Huang, Edward F Valeev, Timothy J LeeJournal of Chemical Theory and Computation|November 5, 2021
Robust Pipek-Mezey Orbital Localization in Periodic SolidsMarjory C Clement, Xiao Wang, Edward F ValeevJournal of Chemical Theory and Computation|September 26, 2018
State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-ClusterChong Peng, Marjory C Clement, Edward F ValeevThe Journal of Chemical Physics|March 10, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theoryYang Guo, Kantharuban Sivalingam, Edward F Valeev, et al.The Journal of Physical Chemistry. A|May 10, 2021
Toward the Minimal Floating Operation Count Cholesky Decomposition of Electron Repulsion IntegralsTianyuan Zhang, Xiaolin Liu, Edward F Valeev, et al.The Journal of Chemical Physics|December 3, 2008
Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equationsToru Shiozaki, Muneaki Kamiya, So Hirata, et al.Journal of Chemical Theory and Computation|October 27, 2016
Clustered Low-Rank Tensor Format: Introduction and Application to Fast Construction of Hartree-Fock ExchangeCannada A Lewis, Justus A Calvin, Edward F ValeevThe Journal of Chemical Physics|September 18, 2012
Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atomFlorian A Bischoff, Robert J Harrison, Edward F ValeevPageof 9