278 related articles for article (PubMed ID: 23742450)
1. Nonlocal van der Waals functionals: the case of rare-gas dimers and solids.
Tran F; Hutter J
J Chem Phys; 2013 May; 138(20):204103. PubMed ID: 23742450
[TBL] [Abstract][Full Text] [Related]
2. Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.
Kohanoff J; Pinilla C; Youngs TG; Artacho E; Soler JM
J Chem Phys; 2011 Oct; 135(15):154505. PubMed ID: 22029322
[TBL] [Abstract][Full Text] [Related]
3. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals.
Pham TH; Ramprasad R; Nguyen HV
J Chem Phys; 2016 Jun; 144(21):214905. PubMed ID: 27276968
[TBL] [Abstract][Full Text] [Related]
4. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions.
Hermann J; Tkatchenko A
J Chem Theory Comput; 2018 Mar; 14(3):1361-1369. PubMed ID: 29447445
[TBL] [Abstract][Full Text] [Related]
5. Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.
Berland K; Hyldgaard P
J Chem Phys; 2010 Apr; 132(13):134705. PubMed ID: 20387952
[TBL] [Abstract][Full Text] [Related]
6. Physisorption of nucleobases on graphene: a comparative van der Waals study.
Le D; Kara A; Schröder E; Hyldgaard P; Rahman TS
J Phys Condens Matter; 2012 Oct; 24(42):424210. PubMed ID: 23032709
[TBL] [Abstract][Full Text] [Related]
7. Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers.
Marom N; Tkatchenko A; Scheffler M; Kronik L
J Chem Theory Comput; 2010 Jan; 6(1):81-90. PubMed ID: 26614321
[TBL] [Abstract][Full Text] [Related]
8. Chemical accuracy for the van der Waals density functional.
Klimeš J; Bowler DR; Michaelides A
J Phys Condens Matter; 2010 Jan; 22(2):022201. PubMed ID: 21386245
[TBL] [Abstract][Full Text] [Related]
9. Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.
Marom N; Tkatchenko A; Rossi M; Gobre VV; Hod O; Scheffler M; Kronik L
J Chem Theory Comput; 2011 Dec; 7(12):3944-51. PubMed ID: 26598340
[TBL] [Abstract][Full Text] [Related]
10. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes.
Corminboeuf C
Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016
[TBL] [Abstract][Full Text] [Related]
11. Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections.
Lin YS; Li GD; Mao SP; Chai JD
J Chem Theory Comput; 2013 Jan; 9(1):263-72. PubMed ID: 26589028
[TBL] [Abstract][Full Text] [Related]
12. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers.
Kelkkanen AK; Lundqvist BI; Nørskov JK
J Chem Phys; 2009 Jul; 131(4):046102. PubMed ID: 19655929
[TBL] [Abstract][Full Text] [Related]
13. Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.
Hanke F; Dyer MS; Björk J; Persson M
J Phys Condens Matter; 2012 Oct; 24(42):424217. PubMed ID: 23031831
[TBL] [Abstract][Full Text] [Related]
14. Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
Carrasco J; Liu W; Michaelides A; Tkatchenko A
J Chem Phys; 2014 Feb; 140(8):084704. PubMed ID: 24588188
[TBL] [Abstract][Full Text] [Related]
15. Density, structure, and dynamics of water: the effect of van der Waals interactions.
Wang J; Román-Pérez G; Soler JM; Artacho E; Fernández-Serra MV
J Chem Phys; 2011 Jan; 134(2):024516. PubMed ID: 21241129
[TBL] [Abstract][Full Text] [Related]
16. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set.
Vydrov OA; Wu Q; Van Voorhis T
J Chem Phys; 2008 Jul; 129(1):014106. PubMed ID: 18624469
[TBL] [Abstract][Full Text] [Related]
17. Rationale for switching to nonlocal functionals in density functional theory.
Lazić P; Atodiresei N; Caciuc V; Brako R; Gumhalter B; Blügel S
J Phys Condens Matter; 2012 Oct; 24(42):424215. PubMed ID: 23032957
[TBL] [Abstract][Full Text] [Related]
18. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.
Martin-Gondre L; Juaristi JI; Blanco-Rey M; Díez Muiño R; Alducin M
J Chem Phys; 2015 Feb; 142(7):074704. PubMed ID: 25702021
[TBL] [Abstract][Full Text] [Related]
19. Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism.
Vydrov OA; Van Voorhis T
J Chem Phys; 2009 Mar; 130(10):104105. PubMed ID: 19292521
[TBL] [Abstract][Full Text] [Related]
20. Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics.
Kannemann FO; Becke AD
J Chem Theory Comput; 2009 Apr; 5(4):719-27. PubMed ID: 26609577
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]