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.
6. Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110). Mowbray DJ; Migani A J Chem Theory Comput; 2016 Jun; 12(6):2843-52. PubMed ID: 27183273 [TBL] [Abstract][Full Text] [Related]
7. Photoionization cross section and angular distribution calculations of carbon tetrafluoride. Toffoli D; Stener M; Fronzoni G; Decleva P J Chem Phys; 2006 Jun; 124(21):214313. PubMed ID: 16774413 [TBL] [Abstract][Full Text] [Related]
8. Optical spectra of 2D monolayers from time-dependent density functional theory. Di Sabatino S; Berger JA; Romaniello P Faraday Discuss; 2020 Dec; 224(0):467-482. PubMed ID: 32940315 [TBL] [Abstract][Full Text] [Related]
9. Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations. Rossi TP; Kuisma M; Puska MJ; Nieminen RM; Erhart P J Chem Theory Comput; 2017 Oct; 13(10):4779-4790. PubMed ID: 28862851 [TBL] [Abstract][Full Text] [Related]
10. Optical and Electronic Properties of Organic NIR-II Fluorophores by Time-Dependent Density Functional Theory and Many-Body Perturbation Theory: Pham NNT; Han SH; Park JS; Lee SG Nanomaterials (Basel); 2021 Sep; 11(9):. PubMed ID: 34578610 [TBL] [Abstract][Full Text] [Related]
11. Calculated linear and nonlinear optical absorption spectra of phosphine-ligated gold clusters. Day PN; Pachter R; Nguyen KA Phys Chem Chem Phys; 2022 May; 24(18):11234-11248. PubMed ID: 35481489 [TBL] [Abstract][Full Text] [Related]
12. Combining Renormalized Singles Li J; Golze D; Yang W J Chem Theory Comput; 2022 Nov; 18(11):6637-6645. PubMed ID: 36279250 [TBL] [Abstract][Full Text] [Related]
13. Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping. Fischer SA; Habenicht BF; Madrid AB; Duncan WR; Prezhdo OV J Chem Phys; 2011 Jan; 134(2):024102. PubMed ID: 21241075 [TBL] [Abstract][Full Text] [Related]
14. Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff Approximation. Rocca D; Vörös M; Gali A; Galli G J Chem Theory Comput; 2014 Aug; 10(8):3290-8. PubMed ID: 26588298 [TBL] [Abstract][Full Text] [Related]
15. An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe-Salpeter equation calculations of molecules. McKeon CA; Hamed SM; Bruneval F; Neaton JB J Chem Phys; 2022 Aug; 157(7):074103. PubMed ID: 35987597 [TBL] [Abstract][Full Text] [Related]
16. Excitons in two-dimensional atomic layer materials from time-dependent density functional theory: mono-layer and bi-layer hexagonal boron nitride and transition-metal dichalcogenides. Suzuki Y; Watanabe K Phys Chem Chem Phys; 2020 Feb; 22(5):2908-2916. PubMed ID: 31950126 [TBL] [Abstract][Full Text] [Related]
18. Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW. Elliott JD; Colonna N; Marsili M; Marzari N; Umari P J Chem Theory Comput; 2019 Jun; 15(6):3710-3720. PubMed ID: 30998361 [TBL] [Abstract][Full Text] [Related]
19. First Principles Calculations on the Stoichiometric and Defective (101) Anatase Surface and Upon Hydrogen and H Martínez-Casado R; Todorović M; Mallia G; Harrison NM; Pérez R Front Chem; 2019; 7():220. PubMed ID: 31106189 [TBL] [Abstract][Full Text] [Related]
20. First-principles study on the electronic and optical properties of Bi Ahmad H; Rauf A; Ahmad A; Ulhaq A; Muhammad S RSC Adv; 2021 Sep; 11(51):32330-32338. PubMed ID: 35495534 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]