Chai JD - Search Results

1

Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction.

Chai JD, Chen PT. Chai JD, et al. Phys Rev Lett. 2013 Jan 18;110(3):033002. doi: 10.1103/PhysRevLett.110.033002. Epub 2013 Jan 15. Phys Rev Lett. 2013. PMID: 23373919

2

Density functional theory with fractional orbital occupations.

Chai JD. Chai JD. J Chem Phys. 2012 Apr 21;136(15):154104. doi: 10.1063/1.3703894. J Chem Phys. 2012. PMID: 22519312

3

Assessment of density functional methods with correct asymptotic behavior.

Tsai CW, Su YC, Li GD, Chai JD. Tsai CW, et al. Among authors: chai jd. Phys Chem Chem Phys. 2013 Jun 7;15(21):8352-61. doi: 10.1039/c3cp50441g. Epub 2013 Apr 25. Phys Chem Chem Phys. 2013. PMID: 23619978

4

Thermally-assisted-occupation density functional theory with generalized-gradient approximations.

Chai JD. Chai JD. J Chem Phys. 2014 May 14;140(18):18A521. doi: 10.1063/1.4867532. J Chem Phys. 2014. PMID: 24832329

5

Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.

Chai JD. Chai JD. J Chem Phys. 2017 Jan 28;146(4):044102. doi: 10.1063/1.4974163. J Chem Phys. 2017. PMID: 28147520 Clinical Trial.

6

Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory.

Seenithurai S, Chai JD. Seenithurai S, et al. Among authors: chai jd. Sci Rep. 2019 Aug 20;9(1):12139. doi: 10.1038/s41598-019-48560-z. Sci Rep. 2019. PMID: 31431672 Free PMC article.

7

Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation.

Yeh SH, Manjanath A, Cheng YC, Chai JD, Hsu CP. Yeh SH, et al. Among authors: chai jd. J Chem Phys. 2020 Aug 28;153(8):084120. doi: 10.1063/1.5140243. J Chem Phys. 2020. PMID: 32872866

8

Electronic properties of the coronene series from thermally-assisted-occupation density functional theory.

Yeh CN, Wu C, Su H, Chai JD. Yeh CN, et al. Among authors: chai jd. RSC Adv. 2018 Oct 8;8(60):34350-34358. doi: 10.1039/c8ra01336e. eCollection 2018 Oct 4. RSC Adv. 2018. PMID: 35548596 Free PMC article.

9

Long-range corrected double-hybrid density functionals.

Chai JD, Head-Gordon M. Chai JD, et al. J Chem Phys. 2009 Nov 7;131(17):174105. doi: 10.1063/1.3244209. J Chem Phys. 2009. PMID: 19894996

10

Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections.

Lin YS, Tsai CW, Li GD, Chai JD. Lin YS, et al. Among authors: chai jd. J Chem Phys. 2012 Apr 21;136(15):154109. doi: 10.1063/1.4704370. J Chem Phys. 2012. PMID: 22519317

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