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.
483 related articles for article (PubMed ID: 26593646)
1. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals. Kronik L; Stein T; Refaely-Abramson S; Baer R J Chem Theory Comput; 2012 May; 8(5):1515-31. PubMed ID: 26593646 [TBL] [Abstract][Full Text] [Related]
2. Comparison of DFT methods for molecular orbital eigenvalue calculations. Zhang G; Musgrave CB J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730 [TBL] [Abstract][Full Text] [Related]
3. Organic electronic materials: recent advances in the DFT description of the ground and excited states using tuned range-separated hybrid functionals. Körzdörfer T; Brédas JL Acc Chem Res; 2014 Nov; 47(11):3284-91. PubMed ID: 24784485 [TBL] [Abstract][Full Text] [Related]
4. Electronic Energy Gaps for π-Conjugated Oligomers and Polymers Calculated with Density Functional Theory. Sun H; Autschbach J J Chem Theory Comput; 2014 Mar; 10(3):1035-47. PubMed ID: 26580181 [TBL] [Abstract][Full Text] [Related]
5. From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach. Baerends EJ Phys Chem Chem Phys; 2017 Jun; 19(24):15639-15656. PubMed ID: 28604864 [TBL] [Abstract][Full Text] [Related]
6. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations. van Meer R; Gritsenko OV; Baerends EJ J Chem Theory Comput; 2014 Oct; 10(10):4432-41. PubMed ID: 26588140 [TBL] [Abstract][Full Text] [Related]
7. Excitation energies from range-separated time-dependent density and density matrix functional theory. Pernal K J Chem Phys; 2012 May; 136(18):184105. PubMed ID: 22583275 [TBL] [Abstract][Full Text] [Related]
8. Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory. Ii BM; Autschbach J J Chem Theory Comput; 2013 Nov; 9(11):4991-5003. PubMed ID: 26583416 [TBL] [Abstract][Full Text] [Related]
9. On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory. Ziegler T; Krykunov M J Chem Phys; 2010 Aug; 133(7):074104. PubMed ID: 20726632 [TBL] [Abstract][Full Text] [Related]
10. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods. Zwijnenburg MA; Sousa C; Sokol AA; Bromley ST J Chem Phys; 2008 Jul; 129(1):014706. PubMed ID: 18624495 [TBL] [Abstract][Full Text] [Related]
11. TD-DFT description of photoabsorption and electron transfer in a covalently bonded porphyrin-fullerene dyad. Cramariuc O; Hukka TI; Rantala TT; Lemmetyinen H J Phys Chem A; 2006 Nov; 110(45):12470-6. PubMed ID: 17091952 [TBL] [Abstract][Full Text] [Related]
12. Curvature and Frontier Orbital Energies in Density Functional Theory. Stein T; Autschbach J; Govind N; Kronik L; Baer R J Phys Chem Lett; 2012 Dec; 3(24):3740-4. PubMed ID: 26291104 [TBL] [Abstract][Full Text] [Related]
13. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. Ghosh S; Sonnenberger AL; Hoyer CE; Truhlar DG; Gagliardi L J Chem Theory Comput; 2015 Aug; 11(8):3643-9. PubMed ID: 26574447 [TBL] [Abstract][Full Text] [Related]
14. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
15. Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties. Autschbach J; Srebro M Acc Chem Res; 2014 Aug; 47(8):2592-602. PubMed ID: 24968277 [TBL] [Abstract][Full Text] [Related]
16. Accurate band gaps and dielectric properties from one-electron theories (abstract only). Kresse G; Shishkin M; Marsman M; Paier J J Phys Condens Matter; 2008 Feb; 20(6):064203. PubMed ID: 21693865 [TBL] [Abstract][Full Text] [Related]
17. Connection between Hybrid Functionals and Importance of the Local Density Approximation. Mosquera MA; Borca CH; Ratner MA; Schatz GC J Phys Chem A; 2016 Mar; 120(9):1605-12. PubMed ID: 26901359 [TBL] [Abstract][Full Text] [Related]
18. Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange. Heßelmann A J Chem Theory Comput; 2015 Apr; 11(4):1607-20. PubMed ID: 26574370 [TBL] [Abstract][Full Text] [Related]
19. Charge-Transfer Excitation Energies Expressed as Orbital Energies of Kohn-Sham Density Functional Theory with Long-Range Corrected Functionals. Hirao K; Chan B; Song JW; Bae HS J Phys Chem A; 2020 Oct; 124(39):8079-8087. PubMed ID: 32901484 [TBL] [Abstract][Full Text] [Related]
20. Tuned range separated hybrid functionals for solvated low bandgap oligomers. de Queiroz TB; Kümmel S J Chem Phys; 2015 Jul; 143(3):034101. PubMed ID: 26203008 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]