SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Volumn 4, Issue 12, 2014, Pages

Understanding density functional theory (DFT) and completing it in practice

(1) Bagayoko, Diola a

a SOUTHERN UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY GAP; LOCAL DENSITY APPROXIMATION;

BASIS SETS; FINITE SYSTEMS; OTHER PROPERTIES; RAYLEIGH; SALIENT POINTS; SELF-CONSISTENT CALCULATION; SINGLE TRIAL; WILLIAMS;

DENSITY FUNCTIONAL THEORY;

EID: 84918813899 PISSN: None EISSN: 21583226 Source Type: Journal
DOI: 10.1063/1.4903408 Document Type: Article

Times cited : (147)

References (48)

1
- 10644250257
- 864
- P. Hohenberg and W. Kohn, Phys. Rev 136 (No.3B), B 864 (1964). 10.1103/PhysRev.136.B864
- (1964) Phys. Rev , vol.136 , pp. B
- Hohenberg, P.¹ Kohn, W.²

2
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. A1133
- Kohn, W.¹ Sham, L.J.²

3
- 0033235339
- W. Kohn, Rev. Mod. Phys 71, 1253 (1999). 10.1103/RevModPhys.71.1253
- (1999) Rev. Mod. Phys , vol.71 , pp. 1253
- Kohn, W.¹

4
- 7544230029
- Diola Bagayoko, Lashounda Franklin, and G. L. Zhao, J. Appli. Phys. 96, 4297-4301 (2004). 10.1063/1.1790064
- (2004) J. Appli. Phys. , vol.96 , pp. 4297-4301
- Bagayoko, D.¹ Franklin, L.² Zhao, G.L.³

5
- 33745514618
- H. Jin, G. L. Zhao, and D. Bagayoko, Phys. Rev. B73, 245214 (2006). 10.1103/PhysRevB.73.245214
- (2006) Phys. Rev. , vol.B73
- Jin, H.¹ Zhao, G.L.² Bagayoko, D.³

6
- 84918768178
- manuscript to be submitted for publication and to be available on ArXiv
- B. Khamala, L. Franklin, Y. Malozovsky, A. Stewart, H. Saleem, and D. Bagayoko, manuscript to be submitted for publication and to be available on ArXiv.
- Khamala, B.¹ Franklin, L.² Malozovsky, Y.³ Stewart, A.⁴ Saleem, H.⁵ Bagayoko, D.⁶

7
- 84918796238
- manuscript submitted for publication and available on ArXiv, September 2014
- Yacouba Issa Diakité, Sibiry D. Traoré, Yuriy Malozovsky, Bethuel Khamala, Franklin Lashounda, and Diola Bagayoko, manuscript submitted for publication and available on ArXiv, September 2014.
- Diakité, Y.I.¹ Traoré, S.D.² Malozovsky, Y.³ Khamala, B.⁴ Lashounda, F.⁵ Bagayoko, D.⁶

8
- 85042157767
- C. E. Ekuma and D. Bagayoko, Japanese Journal of Applied Physics (JJAP) 50, 101103 (2011). 10.7567/JJAP.50.101103
- (2011) Japanese Journal of Applied Physics (JJAP) , vol.50
- Ekuma, C.E.¹ Bagayoko, D.²

9
- 84874659585
- L. Franklin, G. L. Zhao, C. E. Ekuma, and D. Bagayoko, Journal of Physics and Chemistry of Solids 74, 729-736 (2013). 10.1016/j.jpcs.2013.01.013
- (2013) Journal of Physics and Chemistry of Solids , vol.74 , pp. 729-736
- Franklin, L.¹ Zhao, G.L.² Ekuma, C.E.³ Bagayoko, D.⁴

10
- 84924585826
- J. I. Ejembi, I. H Nwigboji, L. Franklin, Y. Malozovsky, G. L. Zhao, and D. Bagayoko, J. Appl. Phys. 116, 03711 (2014). 10.1063/1.4894692
- (2014) J. Appl. Phys. , vol.116
- Ejembi, J.I.¹ Nwigboji, I.H.² Franklin, L.³ Malozovsky, Y.⁴ Zhao, G.L.⁵ Bagayoko, D.⁶

11
- 84918815118
- Manuscript submitted for publication and to be available on ArXiv in October 2014
- A. Stewart, D. Hart, B. Khamala, Y. Malozovsky, and D. Bagayoko. Manuscript submitted for publication and to be available on ArXiv in October 2014.
- Stewart, A.¹ Hart, D.² Khamala, B.³ Malozovsky, Y.⁴ Bagayoko, D.⁵

12
- 0035499109
- D. Bagayoko and G. L. Zhao, Physica C 364-365, 261-264 (2001).
- (2001) Physica , vol.C 364-365 , pp. 261-264
- Bagayoko, D.¹ Zhao, G.L.²

13
- 0344515436
- R. G. Egdell, V. E. Henrich, R. Bowdler, and T. Sekine, J. Appl. Phys 94, 6611 (2003). 10.1063/1.1619568
- (2003) J. Appl. Phys , vol.94 , pp. 6611
- Egdell, R.G.¹ Henrich, V.E.² Bowdler, R.³ Sekine, T.⁴

14
- 84885972316
- J. Z. Jiang, H. Lindelov, L. Gerward, K. Stahl, J. M. Recio, P. Mori-Sanchez, S. Carlson, M. Mezouar, E. Dooryhee, A. Fitch, and D. J. Frost, Phys. Rev. B, Rapid Communications 65, 161202(R) (2002). 10.1103/PhysRevB.65.161202
- (2002) Phys. Rev. B, Rapid Communications , vol.65
- Jiang, J.Z.¹ Lindelov, H.² Gerward, L.³ Stahl, K.⁴ Recio, J.M.⁵ Mori-Sanchez, P.⁶ Carlson, S.⁷ Mezouar, M.⁸ Dooryhee, E.⁹ Fitch, A.¹⁰ Frost, D.J.¹¹

15
- 33846087814
- J. Schörmann, D. J. As, K. Lischka, P. Schley, R. Goldhahn, S. F. Li, W. Löffler, M. Hetterich, and H. Kalt, Appl. Phys. Lett. 89, 261903 (2006). 10.1063/1.2422913
- (2006) Appl. Phys. Lett. , vol.89
- Schörmann, J.¹ As, D.J.² Lischka, K.³ Schley, P.⁴ Goldhahn, R.⁵ Li, S.F.⁶ Löffler, W.⁷ Hetterich, M.⁸ Kalt, H.⁹

16
- 84900418068
- Batakrushna Santara, P K Giri1, Kenji Imakita, and Minoru Fujii, J. Phys. D: Appl. Phys. 47, 215302 (2014). 10.1088/0022-3727/47/21/215302
- (2014) J. Phys. D: Appl. Phys. , vol.47
- Santara, B.¹ Giri, P.K.² Imakita, K.³ Fujii, M.⁴

17
- 21644462191
- Diola Bagayoko and Lashounda Franklin, J. Appli. Phys. 97, 123708 (2005). 10.1063/1.1939069
- (2005) J. Appli. Phys. , vol.97
- Bagayoko, D.¹ Franklin, L.²

18
- 0142120866
- Appl. Phys. Lett. 80, 3967 (2002)
- J. Wu et al., J. Appl. Phys. 94, 4457 (2003) and Appl. Phys. Lett. 80, 3967 (2002). 10.1063/1.1605815
- (2003) J. Appl. Phys. , vol.94 , pp. 4457
- Wu, J.¹

19
- 26144450583
- J. P. Perdew and Alex Zunger, Phys. Rev. 23 (No. 10), 5048 (1981). 10.1103/PhysRevB.23.5048
- (1981) Phys. Rev. , vol.23 , Issue.10 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

20
- 3343011193
- John P. Perdew and Mel Levy, Phys. Rev. Lett. 51 (No. 20), 1884 (1983). 10.1103/PhysRevLett.51.1884
- (1983) Phys. Rev. Lett. , vol.51 , Issue.20 , pp. 1884
- Perdew, J.P.¹ Levy, M.²

21
- 4243209020
- No. 20, 1888
- L. J. Sham and M. Schlüter, Phys. Rev. Lett. 51 No. 20, 1888 (1983). 10.1103/PhysRevLett.51.1888
- (1983) Phys. Rev. Lett. , vol.51
- Sham, L.J.¹ Schlüter, M.²

22
- 33744712364
- L. J. Sham and M. Schlüter, Phys. Rev. B 32, 3883 (1985). 10.1103/PhysRevB.32.3883
- (1985) Phys. Rev. B , vol.32 , pp. 3883
- Sham, L.J.¹ Schlüter, M.²

23
- 84990634607
- 17 ¯, 527
- D. Bagayoko, Inter. Jour. Quant. Chem. 17 ¯, 527 (1983). 10.1002/qua.560240857
- (1983) Inter. Jour. Quant. Chem.
- Bagayoko, D.¹

24
- 3843060308
- David C. Langreth and John P. Perdew, Phys. Rev. B 21, 5469 (1980). 10.1103/PhysRevB.21.5469
- (1980) Phys. Rev. B , vol.21 , pp. 5469
- Langreth, D.C.¹ Perdew, J.P.²

25
- 0001469928
- B. N. Harmon, W. Weber, and D. R. Hamann, Phys. Rev. B 25 (2), 1109-1115 (1982). 10.1103/PhysRevB.25.1109
- (1982) Phys. Rev. B , vol.25 , Issue.2 , pp. 1109-1115
- Harmon, B.N.¹ Weber, W.² Hamann, D.R.³

26
- 0032090483
- D. Bagayoko, G. L. Zhao, J. D. Fan, and J. T. Wang, J. of Physics: Condensed Matter 10, 5645 (1998). 10.1088/0953-8984/10/25/014
- (1998) J. of Physics: Condensed Matter , vol.10 , pp. 5645
- Bagayoko, D.¹ Zhao, G.L.² Fan, J.D.³ Wang, J.T.⁴

27
- 0000600311
- G. L. Zhao, D. Bagayoko, and T. D. Williams, Physical Review B60, 1563 (1999). 10.1103/PhysRevB.60.1563
- (1999) Physical Review , vol.B60 , pp. 1563
- Zhao, G.L.¹ Bagayoko, D.² Williams, T.D.³

28
- 84918768098
- Master's Degree Thesis in Physics (Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, LA 70813)
- C. E. Ekuma, Master's Degree Thesis in Physics (Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, LA 70813).
- Ekuma, C.E.¹

29
- 84874025161
- C. E. Ekuma, M. Jarrell, J. Moreno, and D. Bagayoko, AIP Advances 2, 012189 (2012). 10.1063/1.3700433
- (2012) AIP Advances , vol.2
- Ekuma, C.E.¹ Jarrell, M.² Moreno, J.³ Bagayoko, D.⁴

30
- 84918778038
- Bamako, Mali
- D. Bagayoko, in Proceedings, Malian Symposium of Applied Sciences (MSAS), Bamako, Mali (2004) pp. 53-58.
- (2004) Proceedings, Malian Symposium of Applied Sciences (MSAS) , pp. 53-58
- Bagayoko, D.¹

31
- 84880300639
- 1 November 2013
- C. E. Ekuma, M. Jarrell, J. Moreno, G. L. Zhao, and D. Bagayoko, Phys. Lett. A Vol. 377 (34-36), 2172-2176, 1 November 2013-http://authors.elsevier.com/sd/article/S0375960113005318. 10.1016/j.physleta.2013.05.043
- Phys. Lett. A , vol.VOL. 377 , Issue.34-36 , pp. 2172-2176
- Ekuma, C.E.¹ Jarrell, M.² Moreno, J.³ Zhao, G.L.⁴ Bagayoko, D.⁵

32
- 84918819547
- manuscript submitted for publication and available on ArXiv, September 2014
- I. H. Nwigboji, J. I. Ejembi, Y. Malozovsky, B. Khamala, L. Franklin, G. L. Zhao, C. E. Ekuma, and D. Bagayoko, manuscript submitted for publication and available on ArXiv, September 2014.
- Nwigboji, I.H.¹ Ejembi, J.I.² Malozovsky, Y.³ Khamala, B.⁴ Franklin, L.⁵ Zhao, G.L.⁶ Ekuma, C.E.⁷ Bagayoko, D.⁸

33
- 43949097572
- D. Bagayoko, L. Franklin, G. L. Zhao, and H. Jin, J. Appl. Phys. 103, 096101 (2008). 10.1063/1.2908179
- (2008) J. Appl. Phys. , vol.103
- Bagayoko, D.¹ Franklin, L.² Zhao, G.L.³ Jin, H.⁴

34
- 84918786913
- M. S. thesis (Southern University and A&M College in Baton Rouge (SUBR), Louisiana)
- T. D. Williams, M. S. thesis (Southern University and A&M College in Baton Rouge (SUBR), Louisiana, 1998).
- (1998)
- Williams, T.D.¹

35
- 29744449284
- J. Furthmüller, P. H. Hahn, F. Fuchs, and F. Bechstedt, Phys. Rev. B 72, 205106 (2005). 10.1103/PhysRevB.72.205106
- (2005) Phys. Rev. B , vol.72
- Furthmüller, J.¹ Hahn, P.H.² Fuchs, F.³ Bechstedt, F.⁴

36
- 34447567194
- D. Bagayoko, L. Franklin, and G. L. Zhao, Phys. Rev. B 76, 037101 (2007). 10.1103/PhysRevB.76.037101
- (2007) Phys. Rev. B , vol.76
- Bagayoko, D.¹ Franklin, L.² Zhao, G.L.³

37
- 33746363964
- S. H. Wei and A. Zunger, Phys. Rev. B 37, 8958 (1988). 10.1103/PhysRevB.37.8958
- (1988) Phys. Rev. B , vol.37 , pp. 8958
- Wei, S.H.¹ Zunger, A.²

38
- 66649086821
- F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009). 10.1103/PhysRevLett.102.226401
- (2009) Phys. Rev. Lett. , vol.102
- Tran, F.¹ Blaha, P.²

39
- 84860267022
- D. Koller, F. Tran, and P. Blaha, Phys. Rev. B 85, 155109 (2012). 10.1103/PhysRevB.85.155109
- (2012) Phys. Rev. B , vol.85
- Koller, D.¹ Tran, F.² Blaha, P.³

40
- 79961217481
- T. Jarlborg, B. Barbiellini, H. Lin, R. S. Markiewicz, and A. Bansil, Phys. Rev. B 84, 045109 (2011). 10.1103/PhysRevB.84.045109
- (2011) Phys. Rev. B , vol.84
- Jarlborg, T.¹ Barbiellini, B.² Lin, H.³ Markiewicz, R.S.⁴ Bansil, A.⁵

41
- 84899726893
- T. Jarlborg, B. Barbiellini, C. Lane, Y. J. Wang, R. S. Markiewicz, Z. Liu, Z. Hussain, and A. Bansil, Phys. Rev. B 89, 165101 (2014). 10.1103/PhysRevB.89.165101
- (2014) Phys. Rev. B , vol.89
- Jarlborg, T.¹ Barbiellini, B.² Lane, C.³ Wang, Y.J.⁴ Markiewicz, R.S.⁵ Liu, Z.⁶ Hussain, Z.⁷ Bansil, A.⁸

42
- 79961105832
- D. Koller, F. Tran, and P. Blaha, Phys. Rev. B 83, 195134 (2011). 10.1103/PhysRevB.83.195134
- (2011) Phys. Rev. B , vol.83
- Koller, D.¹ Tran, F.² Blaha, P.³

43
- 84869039654
- J. A. Carmago-Martinez and R. Baquero, Phys. Rev. B 86, 195106 (2012). 10.1103/PhysRevB.86.195106
- (2012) Phys. Rev. B , vol.86
- Carmago-Martinez, J.A.¹ Baquero, R.²

44
- 84876138577
- H. Jiang, J. Chem. Phys. 138, 134115 (2013). 10.1063/1.4798706
- (2013) J. Chem. Phys. , vol.138
- Jiang, H.¹

45
- 84890860035
- B. Ul Haq, R. Ahmed, S. Goumri-Said, A. Shaari, and A. Afaq, Phase Transitions: A Multinational Journal Vol. 86 (No. 12), 1167 (2013). 10.1080/01411594.2012.755183
- (2013) Phase Transitions: A Multinational Journal , vol.86 , Issue.12 , pp. 1167
- Ul Haq, B.¹ Ahmed, R.² Goumri-Said, S.³ Shaari, A.⁴ Afaq, A.⁵

46
- 0001128538
- Su-Huai Wei and Alex Zunger, Phys. Rev. B 57, 8983 (1998). 10.1103/PhysRevB.57.8983
- (1998) Phys. Rev. B , vol.57 , pp. 8983
- Wei, S.-H.¹ Zunger, A.²

47
- 0001437693
- V. I. Anisimov, J. Zaanen, and Ole K. Andersen, Phys. Rev. B 44, 943 (1991). 10.1103/PhysRevB.44.943
- (1991) Phys. Rev. B , vol.44 , pp. 943
- Anisimov, V.I.¹ Zaanen, J.² Andersen, O.K.³

48
- 75649122576
- V. L. Campo, Jr. and M. Cococcioni, J. Phys.: Condens. Matter 22, 055602 (2010). 10.1088/0953-8984/22/5/055602
- (2010) J. Phys.: Condens. Matter , vol.22
- Campo, V.L.¹ Cococcioni, M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.