These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
392 related articles for article (PubMed ID: 27045571)
21. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory. Liakos DG; Neese F J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901 [TBL] [Abstract][Full Text] [Related]
23. Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting. Köppl C; Werner HJ J Chem Theory Comput; 2016 Jul; 12(7):3122-34. PubMed ID: 27267488 [TBL] [Abstract][Full Text] [Related]
24. Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange. Yanai T; Fann GI; Gan Z; Harrison RJ; Beylkin G J Chem Phys; 2004 Oct; 121(14):6680-8. PubMed ID: 15473723 [TBL] [Abstract][Full Text] [Related]
25. Semiempirical hybrid density functional with perturbative second-order correlation. Grimme S J Chem Phys; 2006 Jan; 124(3):034108. PubMed ID: 16438568 [TBL] [Abstract][Full Text] [Related]
26. Screened hybrid meta-GGA exchange-correlation functionals for extended systems. Jana S; Samal P Phys Chem Chem Phys; 2019 Feb; 21(6):3002-3015. PubMed ID: 30672528 [TBL] [Abstract][Full Text] [Related]
27. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems. Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724 [TBL] [Abstract][Full Text] [Related]
28. How Evenly Can Approximate Density Functionals Treat the Different Multiplicities and Ionization States of 4d Transition Metal Atoms? Luo S; Truhlar DG J Chem Theory Comput; 2012 Nov; 8(11):4112-26. PubMed ID: 26605578 [TBL] [Abstract][Full Text] [Related]
30. M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and Structures. Kanchanakungwankul S; Verma P; Janesko BG; Scalmani G; Frisch MJ; Truhlar DG J Chem Theory Comput; 2023 Dec; 19(24):9102-9117. PubMed ID: 38096578 [TBL] [Abstract][Full Text] [Related]
32. Efficient Computation of Hartree-Fock Exchange Using Recursive Subspace Bisection. Gygi F; Duchemin I J Chem Theory Comput; 2013 Jan; 9(1):582-7. PubMed ID: 26589056 [TBL] [Abstract][Full Text] [Related]
33. Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals. Vydrov OA; Heyd J; Krukau AV; Scuseria GE J Chem Phys; 2006 Aug; 125(7):074106. PubMed ID: 16942321 [TBL] [Abstract][Full Text] [Related]
34. Communication: Monte Carlo calculation of the exchange energy. Baer R; Neuhauser D J Chem Phys; 2012 Aug; 137(5):051103. PubMed ID: 22894325 [TBL] [Abstract][Full Text] [Related]
35. Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package. Womack JC; Mardirossian N; Head-Gordon M; Skylaris CK J Chem Phys; 2016 Nov; 145(20):204114. PubMed ID: 27908114 [TBL] [Abstract][Full Text] [Related]
36. Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory. Maier TM; Bahmann H; Kaupp M J Chem Theory Comput; 2015 Sep; 11(9):4226-37. PubMed ID: 26575918 [TBL] [Abstract][Full Text] [Related]
37. Meta-GGA Density Functional Calculations on Atoms with Spherically Symmetric Densities in the Finite Element Formalism. Lehtola S J Chem Theory Comput; 2023 May; 19(9):2502-2517. PubMed ID: 37084260 [TBL] [Abstract][Full Text] [Related]
38. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds. Zhang W; Truhlar DG; Tang M J Chem Theory Comput; 2013 Sep; 9(9):3965-77. PubMed ID: 26592392 [TBL] [Abstract][Full Text] [Related]
39. Double-hybrid density functional theory for excited electronic states of molecules. Grimme S; Neese F J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141 [TBL] [Abstract][Full Text] [Related]
40. Performance of Effective Core Potentials for Density Functional Calculations on 3d Transition Metals. Xu X; Truhlar DG J Chem Theory Comput; 2012 Jan; 8(1):80-90. PubMed ID: 26592870 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]