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Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics
Frank Neese, Tobias Schwabe, Simone Koßmann, Birgitta Schirmer, Stefan Grimme (2009). Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics. Journal of Chemical Theory and Computation, 5(11), pp. 3060-3073, DOI: 10.1021/ct9003299.
Article169 days agoAnalytic derivatives for perturbatively corrected “double hybrid” density functionals: Theory, implementation, and applications
Frank Neese, Tobias Schwabe, Stefan Grimme (2007). Analytic derivatives for perturbatively corrected “double hybrid” density functionals: Theory, implementation, and applications. The Journal of Chemical Physics, 126(12), DOI: 10.1063/1.2712433.
Article169 days agoLatest developments and applications of double-hybrid density functionals
Tobias Schwabe, Frank Neese, Stefan Grimme (2008). Latest developments and applications of double-hybrid density functionals. Chemistry Central Journal, 2(S1), DOI: 10.1186/1752-153x-2-s1-p47.
Article169 days agoLatest developments and applications of double-hybrid density functionals
Tobias Schwabe, Frank Neese, Stefan Grimme (2008). Latest developments and applications of double-hybrid density functionals. Chemistry Central Journal, 2(S1), DOI: 10.1186/1752-153x-2-s1-p47.
Article145 days ago