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Journal of Physical Chemistry

Volumn 100, Issue 19, 1996, Pages 7903-7910

Direct approach to density functional theory: Heaviside-fermi level operator using a pseudopotential treatment

(3) Kouri, Donald J a Huang, Youhong a Hoffman, David K b

a University of Houston ^* (United States)

b IOWA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749108378 PISSN: 00223654 EISSN: None Source Type: Journal
DOI: 10.1021/jp953339u Document Type: Article

Times cited : (7)

References (52)

1
- 10644250257
- Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864.
- (1964) Phys. Rev. , vol.136
- Hohenberg, P.¹ Kohn, W.²

2
- 0042113153
- Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

3
- 4243606192
- Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471.
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

4
- 0003569570
- Oxford: New York
- Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford: New York, 1989.
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

5
- 11944256577
- See: Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, T. D. Rev. Mod. Phys. 1992, 64, 1045 and references therein.
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, T.D.⁵

6
- 26544447599
- Laasonen, K.; Sprik, M.; Parrinello, M.; Car, R. J. Chem. Phys. 1993, 99, 9080.
- (1993) J. Chem. Phys. , vol.99 , pp. 9080
- Laasonen, K.¹ Sprik, M.² Parrinello, M.³ Car, R.⁴

7
- 33645885675
- Teter, M. P.; Payne, M. C.; Allan, D. C. Phys. Rev. 1989, B40, 12255.
- (1989) Phys. Rev. , vol.B40 , pp. 12255
- Teter, M.P.¹ Payne, M.C.² Allan, D.C.³

8
- 26744456062
- Arias, T. A.; Payne, M. C.; Joannopoulos, T. D. Phys. Rev. 1992, B45, 1538.
- (1992) Phys. Rev. , vol.45 , pp. 1538
- Arias, T.A.¹ Payne, M.C.² Joannopoulos, T.D.³

9
- 0000643218
- Phillips, J. C. Phys. Rev. 1958, 112, 685.
- (1958) Phys. Rev. , vol.112 , pp. 685
- Phillips, J.C.¹

10
- 77956940776
- Cohen, M. L.; Heine, V. Solid State Phys. 1970, 24, 37.
- (1970) Solid State Phys. , vol.24 , pp. 37
- Cohen, M.L.¹ Heine, V.²

11
- 24544460330
- Hamann, D. R.; Schlüter, M.; Chiang, C. Phys. Rev. Lett. 1979, 43, 1494.
- (1979) Phys. Rev. Lett. , vol.43 , pp. 1494
- Hamann, D.R.¹ Schlüter, M.² Chiang, C.³

12
- 20544463457
- Vanderbilt, D. Phys. Rev. 1990, B41, 7892.
- (1990) Phys. Rev. , vol.B41 , pp. 7892
- Vanderbilt, D.¹

13
- 3843133047
- Chelikowsky, J. R.; Troullier, N.; Saad, Y. Phys. Rev. Lett. 1994, 72, 1240.
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1240
- Chelikowsky, J.R.¹ Troullier, N.² Saad, Y.³

14
- 0000544586
- Gygi, F.; Galli, G. Phys. Rev. 1995, B52, R2229.
- (1995) Phys. Rev. , vol.B52
- Gygi, F.¹ Galli, G.²

15
- 0000946373
- Seitsonen, A. P.; Puska, M. J.; Mieminen, R. M. Phys. Rev. 1995, B51, 14057.
- (1995) Phys. Rev. , vol.B51 , pp. 14057
- Seitsonen, A.P.¹ Puska, M.J.² Mieminen, R.M.³

16
- 0000160626
- Hoshi, T.; Arai, M.; Fujiwara, T. Phys. Rev. 1995, B52, R5459.
- (1995) Phys. Rev. , vol.B52
- Hoshi, T.¹ Arai, M.² Fujiwara, T.³

17
- 0000196211
- Jing, X.; Troullier, N.; Dean, D.; Binggeli, N.; Chelikowsky, J. R.; Wu, K.; Saad, Y. Phys. Rev. 1994, B50, 12234.
- (1994) Phys. Rev. , vol.B50 , pp. 12234
- Jing, X.¹ Troullier, N.² Dean, D.³ Binggeli, N.⁴ Chelikowsky, J.R.⁵ Wu, K.⁶ Saad, Y.⁷

18
- 35949007371
- Li, X.-P.; Nunes, R. W.; Vanderbilt, D. Phys. Rev. 1993, B47, 10891.
- (1993) Phys. Rev. , vol.B47 , pp. 10891
- Li, X.-P.¹ Nunes, R.W.² Vanderbilt, D.³

19
- 0001586626
- Daw, M. S. Phys. Rev. 1993, B47, 10895.
- (1993) Phys. Rev. , vol.B47 , pp. 10895
- Daw, M.S.¹

20
- 0348160834
- Huang, Y.; Kouri, D. J.; Hoffman, D. K. Chem. Phys. Lett. 1995, 243, 367.
- (1995) Chem. Phys. Lett. , vol.243 , pp. 367
- Huang, Y.¹ Kouri, D.J.² Hoffman, D.K.³

21
- 0001169579
- Hoffman, D. K.; Nayar, N.; Sharafeddin, O. A.; Kouri, D. J. J. Phys. Chem. 1991, 95, 8299.
- (1991) J. Phys. Chem. , vol.95 , pp. 8299
- Hoffman, D.K.¹ Nayar, N.² Sharafeddin, O.A.³ Kouri, D.J.⁴

22
- 33751391933
- Kouri, D. J.; Hoffman, D. K. J. Phys. Chem. 1992, 96, 9631.
- (1992) J. Phys. Chem. , vol.96 , pp. 9631
- Kouri, D.J.¹ Hoffman, D.K.²

23
- 0342267385
- Hoffman, D. K.; Kouri, D. J. J. Phys. Chem. 1992, 96, 1179.
- (1992) J. Phys. Chem. , vol.96 , pp. 1179
- Hoffman, D.K.¹ Kouri, D.J.²

24
- 0001603009
- Hoffman, D. K.; Kouri, D. J. J. Phys. Chem. 1993, 97, 4984.
- (1993) J. Phys. Chem. , vol.97 , pp. 4984
- Hoffman, D.K.¹ Kouri, D.J.²

25
- 5444237332
- von Barth, U.; Hedin, L. J. Phys. 1972, C5, 1629.
- (1972) J. Phys. , vol.C5 , pp. 1629
- Von Barth, U.¹ Hedin, L.²

26
- 0000216001
- Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

27
- 26144450583
- Perdew, J. P.; Zunger, A. Phys. Rev. 1981, 23, 5048.
- (1981) Phys. Rev. , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

28
- 0000625210
- Golden, S. Rev. Mod. Phys. 1960, 32, 322.
- (1960) Rev. Mod. Phys. , vol.32 , pp. 322
- Golden, S.¹

29
- 0001705362
- Huang, Y.; Kouri, D. J.; Hoffman, D. K. J. Chem. Phys. 1994, 101, 10493.
- (1994) J. Chem. Phys. , vol.101 , pp. 10493
- Huang, Y.¹ Kouri, D.J.² Hoffman, D.K.³

30
- 0028396261
- Huang, Y.; Kouri, D. J.; Arnold, M.; Marchions, T. L., II; Hoffman, D. K. Comput. Phys. Commun. 1994, 80, 1.
- (1994) Comput. Phys. Commun. , vol.80 , pp. 1
- Huang, Y.¹ Kouri, D.J.² Arnold, M.³ Marchions II, T.L.⁴ Hoffman, D.K.⁵

31
- 0003474751
- Cambridge University Press: Cambridge
- Press, W. H.; Teukolsky, S. A.; Vetterling, W. T.; Flannery, B. P. Numerical Recipes in Fortran, 2nd ed.; Cambridge University Press: Cambridge, 1992.
- (1992) Numerical Recipes in Fortran, 2nd Ed.
- Press, W.H.¹ Teukolsky, S.A.² Vetterling, W.T.³ Flannery, B.P.⁴

32
- 0000147262
- Bernholc, J.; Yi, J.-Y.; Sullivan, D. J. Faraday Discuss. 1991, 92, 217.
- (1991) Faraday Discuss. , vol.92 , pp. 217
- Bernholc, J.¹ Yi, J.-Y.² Sullivan, D.J.³

33
- 0001708833
- Davstad, K. J. Comput. Phys. 1992, 99, 33.
- (1992) J. Comput. Phys. , vol.99 , pp. 33
- Davstad, K.¹

34
- 0000674491
- White, S. R.; Wilkins, J. W.; Teter, M. P. Phys. Rev. 1989, B39, 5819.
- (1989) Phys. Rev. , vol.B39 , pp. 5819
- White, S.R.¹ Wilkins, J.W.² Teter, M.P.³

35
- 0000767995
- Iyer, K. A.; Merrick, M. P.; Beck, T. L. J. Chem. Phys. 1995, 103, 227.
- (1995) J. Chem. Phys. , vol.103 , pp. 227
- Iyer, K.A.¹ Merrick, M.P.² Beck, T.L.³

36
- 3743048569
- Bachelet, G. B.; Hamann, D. R.; Schlüter, M. Phys. Rev. 1982, B26, 4199.
- (1982) Phys. Rev. , vol.B26 , pp. 4199
- Bachelet, G.B.¹ Hamann, D.R.² Schlüter, M.³

37
- 0001161603
- Kleiman, L.; Bylander, D. M. Phys. Rev. Lett. 1982, 48, 1425.
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleiman, L.¹ Bylander, D.M.²

38
- 0001358577
- Blöchl, P. E. Phys. Rev. 1990, B41, 5414.
- (1990) Phys. Rev. , vol.B41 , pp. 5414
- Blöchl, P.E.¹

39
- 0039754383
- Lill, J. V.; Parker, G. A.; Light, J. C. Chem. Phys. Lett. 1982, 89, 483.
- (1982) Chem. Phys. Lett. , vol.89 , pp. 483
- Lill, J.V.¹ Parker, G.A.² Light, J.C.³

40
- 0000450531
- Light, J. C.; Hamilton, I. P.; Lill, J. V. J. Chem. Phys. 1985, 82, 1400.
- (1985) J. Chem. Phys. , vol.82 , pp. 1400
- Light, J.C.¹ Hamilton, I.P.² Lill, J.V.³

41
- 18344373359
- Baye, D.; Heenen, P.-H. J. Phys. 1986, A19, 2041.
- (1986) J. Phys. , vol.A19 , pp. 2041
- Baye, D.¹ Heenen, P.-H.²

42
- 0040532910
- Colbert, D. T.; Miller, W. H. J. Chem. Phys. 1992, 96, 1982.
- (1992) J. Chem. Phys. , vol.96 , pp. 1982
- Colbert, D.T.¹ Miller, W.H.²

43
- 0004179874
- John Wiley & Sons: New York
- Jackson, J. D. Classical Electrodynamics, 2nd ed.; John Wiley & Sons: New York, 1975.
- (1975) Classical Electrodynamics, 2nd Ed.
- Jackson, J.D.¹

44
- 0003588966
- Van Nostrand: New York
- Herzberg, G. Molecular Spectra and Molecular Structure, I. Spectra of Diatomic Molecules, 2nd ed.; Van Nostrand: New York, 1950.
- (1950) Molecular Spectra and Molecular Structure, I. Spectra of Diatomic Molecules, 2nd Ed.
- Herzberg, G.¹

45
- 0000104129
- Painter, G. S.; Averill, F. W. Phys. Rev. 1982, B26, 1781.
- (1982) Phys. Rev. , vol.B26 , pp. 1781
- Painter, G.S.¹ Averill, F.W.²

46
- 0000238999
- Becke, A. D. Phys. Rev. 1986, A33, 2786.
- (1986) Phys. Rev. , vol.A33 , pp. 2786
- Becke, A.D.¹

47
- 33744691386
- Ceperley, D. M.; Alder, B. J. Phys. Rev. Lett. 1980, 45, 566.
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

48
- 33744579730
- Gunnarsson, G.; Harris, J.; Jones, R. O. Phys. Rev. 1977, B15, 3027.
- (1977) Phys. Rev. , vol.B15 , pp. 3027
- Gunnarsson, G.¹ Harris, J.² Jones, R.O.³

49
- 51149218062
- Kutzler, F. W.; Painter, G. S. Phys. Rev. 1992, B45, 3236.
- (1992) Phys. Rev. , vol.B45 , pp. 3236
- Kutzler, F.W.¹ Painter, G.S.²

50
- 0001336950
- Mauri, F.; Galli, G. Phys. Rev. 1994, B50, 4316.
- (1994) Phys. Rev. , vol.B50 , pp. 4316
- Mauri, F.¹ Galli, G.²

51
- 4244168143
- Goedecker, S.; Colombo, L. Phys. Rev. Lett. 1994, 73, 122.
- (1994) Phys. Rev. Lett. , vol.73 , pp. 122
- Goedecker, S.¹ Colombo, L.²

52
- 0000664478
- Goedecker, S.; Teter, M. Phys. Rev. B 1995, 51, 9455.
- (1995) Phys. Rev. B , vol.51 , pp. 9455
- Goedecker, S.¹ Teter, M.²

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