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.
108 related articles for article (PubMed ID: 37199242)
1. Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules. Wang B; Geerlings P; Van Alsenoy C; Heider-Zadeh F; Ayers PW; De Proft F J Chem Theory Comput; 2023 Jun; 19(11):3223-3236. PubMed ID: 37199242 [TBL] [Abstract][Full Text] [Related]
2. Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids. Tran F; Stelzl J; Blaha P J Chem Phys; 2016 May; 144(20):204120. PubMed ID: 27250292 [TBL] [Abstract][Full Text] [Related]
3. Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids. Tao J; Perdew JP; Staroverov VN; Scuseria GE Phys Rev Lett; 2003 Oct; 91(14):146401. PubMed ID: 14611541 [TBL] [Abstract][Full Text] [Related]
4. Doubly hybrid density functionals that correctly describe both density and energy for atoms. Su NQ; Zhu Z; Xu X Proc Natl Acad Sci U S A; 2018 Mar; 115(10):2287-2292. PubMed ID: 29444857 [TBL] [Abstract][Full Text] [Related]
5. Validation of double-hybrid density functionals for electric response properties of transition-metal systems: a new paradigm based on physical considerations. Alipour M J Phys Chem A; 2013 Apr; 117(13):2884-90. PubMed ID: 23521703 [TBL] [Abstract][Full Text] [Related]
6. Analytical evaluation of Fukui functions and real-space linear response function. Yang W; Cohen AJ; De Proft F; Geerlings P J Chem Phys; 2012 Apr; 136(14):144110. PubMed ID: 22502504 [TBL] [Abstract][Full Text] [Related]
10. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules. Ramírez-Solís A J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042 [TBL] [Abstract][Full Text] [Related]
11. Hartree potential dependent exchange functional. Constantin LA; Fabiano E; Della Sala F J Chem Phys; 2016 Aug; 145(8):084110. PubMed ID: 27586907 [TBL] [Abstract][Full Text] [Related]
12. Random-phase-approximation-based correlation energy functionals: benchmark results for atoms. Jiang H; Engel E J Chem Phys; 2007 Nov; 127(18):184108. PubMed ID: 18020631 [TBL] [Abstract][Full Text] [Related]
14. How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder. Karton A J Comput Chem; 2017 Mar; 38(6):370-382. PubMed ID: 27859494 [TBL] [Abstract][Full Text] [Related]
15. Testing of Exchange-Correlation Functionals of DFT for a Reliable Description of the Electron Density Distribution in Organic Molecules. Domagała M; Jabłoński M; Dubis AT; Zabel M; Pfitzner A; Palusiak M Int J Mol Sci; 2022 Nov; 23(23):. PubMed ID: 36499046 [TBL] [Abstract][Full Text] [Related]
17. Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond. Verma P; Bartlett RJ J Chem Phys; 2012 Jan; 136(4):044105. PubMed ID: 22299859 [TBL] [Abstract][Full Text] [Related]
18. Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations. Giese TJ; York DM J Chem Phys; 2010 Dec; 133(24):244107. PubMed ID: 21197976 [TBL] [Abstract][Full Text] [Related]
19. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits. Perdew JP; Ruzsinszky A; Tao J; Staroverov VN; Scuseria GE; Csonka GI J Chem Phys; 2005 Aug; 123(6):62201. PubMed ID: 16122287 [TBL] [Abstract][Full Text] [Related]
20. 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] [Next] [New Search]