146 related articles for article (PubMed ID: 28256544)
1. Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects.
Yuk SF; Pitike KC; Nakhmanson SM; Eisenbach M; Li YW; Cooper VR
Sci Rep; 2017 Mar; 7():43482. PubMed ID: 28256544
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides.
Cooper VR; Krogel JT; Donald KJ
J Phys Chem A; 2021 May; 125(18):3978-3985. PubMed ID: 33724850
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. vdW-DF-ahcx: a range-separated van der Waals density functional hybrid.
Shukla V; Jiao Y; Frostenson CM; Hyldgaard P
J Phys Condens Matter; 2021 Nov; 34(2):. PubMed ID: 34584024
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces.
Dabaghmanesh S; Neyts EC; Partoens B
Phys Chem Chem Phys; 2016 Aug; 18(33):23139-46. PubMed ID: 27494541
[TBL] [Abstract][Full Text] [Related]
8. 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]
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. 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]
11. Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO
Fischer M; Kim WJ; Badawi M; Lebègue S
J Chem Phys; 2019 Mar; 150(9):094102. PubMed ID: 30849891
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Efficient DFT prediction of chemical and structural stability using van der Waals correction: application for A
Pramchu S; Supatutkul C; Srisakonsub P
J Phys Condens Matter; 2023 Dec; 36(10):. PubMed ID: 38029434
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.
Fernández EM; Balbás LC
Phys Chem Chem Phys; 2011 Dec; 13(46):20863-70. PubMed ID: 22006277
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. 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]
19. Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors.
Skelton JM; Tiana D; Parker SC; Togo A; Tanaka I; Walsh A
J Chem Phys; 2015 Aug; 143(6):064710. PubMed ID: 26277159
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
