203 related articles for article (PubMed ID: 32786912)
1. Next-Generation Nonlocal van der Waals Density Functional.
Chakraborty D; Berland K; Thonhauser T
J Chem Theory Comput; 2020 Sep; 16(9):5893-5911. PubMed ID: 32786912
[TBL] [Abstract][Full Text] [Related]
2. Perspectives on van der Waals Density Functionals: The Case of TiS
Krogel JT; Yuk SF; Kent PRC; Cooper VR
J Phys Chem A; 2020 Nov; 124(47):9867-9876. PubMed ID: 33190498
[TBL] [Abstract][Full Text] [Related]
3. van der Waals exchange-correlation functionals over bulk and surface properties of transition metals.
Avelar J; Bruix A; Garza J; Vargas R
J Phys Condens Matter; 2019 Aug; 31(31):315501. PubMed ID: 30978711
[TBL] [Abstract][Full Text] [Related]
4. Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation.
Hyldgaard P; Jiao Y; Shukla V
J Phys Condens Matter; 2020 Jun; 32(39):. PubMed ID: 32213670
[TBL] [Abstract][Full Text] [Related]
5. Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Jiao Y; Schröder E; Hyldgaard P
J Chem Phys; 2018 May; 148(19):194115. PubMed ID: 30307250
[TBL] [Abstract][Full Text] [Related]
6. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.
Berland K; Jiao Y; Lee JH; Rangel T; Neaton JB; Hyldgaard P
J Chem Phys; 2017 Jun; 146(23):234106. PubMed ID: 28641426
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. An assessment of density functionals for predicting CO
Lee JH; Hyldgaard P; Neaton JB
J Chem Phys; 2022 Apr; 156(15):154113. PubMed ID: 35459296
[TBL] [Abstract][Full Text] [Related]
9. CO2 capture by metal-organic frameworks with van der Waals density functionals.
Poloni R; Smit B; Neaton JB
J Phys Chem A; 2012 May; 116(20):4957-64. PubMed ID: 22519821
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Testing several recent van der Waals density functionals for layered structures.
Björkman T
J Chem Phys; 2014 Aug; 141(7):074708. PubMed ID: 25149807
[TBL] [Abstract][Full Text] [Related]
12. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M
Vlaisavljevich B; Huck J; Hulvey Z; Lee K; Mason JA; Neaton JB; Long JR; Brown CM; Alfè D; Michaelides A; Smit B
J Phys Chem A; 2017 Jun; 121(21):4139-4151. PubMed ID: 28436661
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals.
Carter DJ; Rohl AL
J Chem Theory Comput; 2014 Aug; 10(8):3423-37. PubMed ID: 26588311
[TBL] [Abstract][Full Text] [Related]
15. Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal Functionals.
Hermann J; Tkatchenko A
Phys Rev Lett; 2020 Apr; 124(14):146401. PubMed ID: 32338971
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. CO
Muttaqien F; Hamamoto Y; Hamada I; Inagaki K; Shiozawa Y; Mukai K; Koitaya T; Yoshimoto S; Yoshinobu J; Morikawa Y
J Chem Phys; 2017 Sep; 147(9):094702. PubMed ID: 28886627
[TBL] [Abstract][Full Text] [Related]
18. van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions.
Berland K; Arter CA; Cooper VR; Lee K; Lundqvist BI; Schröder E; Thonhauser T; Hyldgaard P
J Chem Phys; 2014 May; 140(18):18A539. PubMed ID: 24832347
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]