SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Chemical Physics

Volumn 123, Issue 6, 2005, Pages

Away from generalized gradient approximation: Orbital-dependent exchange-correlation functionals

(2) Baerends, E J a Gritsenko, O V a

a VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); ENERGY EXPRESSION; GENERALIZED GRADIENT APPROXIMATIONS; QUANTUM CHEMISTRY;

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTATIONAL GEOMETRY; ENERGY TRANSFER; NATURAL FREQUENCIES; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 24144451155 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1904566 Document Type: Article

Times cited : (60)

References (115)

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

2
- 0003398526
- Springer, Berlin
- R. M. Dreizler and E. K. U. Gross, Density Functional Theory: An Approach to the Many-Body Problem (Springer, Berlin, 1990).
- (1990) Density Functional Theory: An Approach to the Many-Body Problem
- Dreizler, R.M.¹ Gross, E.K.U.²

3
- 0030218597
- W. Kohn, A. D. Becke, and R. G. Parr, J. Phys. Chem. 100, 12974 (1996).
- (1996) J. Phys. Chem. , vol.100 , pp. 12974
- Kohn, W.¹ Becke, A.D.² Parr, R.G.³

4
- 0031192417
- E. J. Baerends and O. V. Gritsenko, J. Phys. Chem. A 101, 5383 (1997).
- (1997) J. Phys. Chem. A , vol.101 , pp. 5383
- Baerends, E.J.¹ Gritsenko, O.V.²

5
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

6
- 0003451211
- Plenum, New York
- Theory of the Inhomogeneous Electron Gas, edited by, S. Lundqvist, and, N. H. March, (Plenum, New York, 1983).
- (1983) Theory of the Inhomogeneous Electron Gas
- Lundqvist, S.¹ March, N.H.²

7
- 4243553426
- A. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.¹

8
- 2842565972
- J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

9
- 5944261746
- J. P. Perdew, Phys. Rev. B 33, 8822 (E) (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

10
- 0345491105
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

11
- 0001652762
- F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 6264
- Hamprecht, F.A.¹ Cohen, A.J.² Tozer, D.J.³ Handy, N.C.⁴

12
- 0001847092
- J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
- (1976) Phys. Rev. A , vol.14 , pp. 36
- Talman, J.D.¹ Shadwick, W.F.²

13
- 0000395933
- A. Görling, Phys. Rev. A 46, 3753 (1992).
- (1992) Phys. Rev. A , vol.46 , pp. 3753
- Görling, A.¹

14
- 26544475305
- A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 196
- Görling, A.¹ Levy, M.²

15
- 84981642122
- A. Görling and M. Levy, Int. J. Quantum Chem., Symp. 29, 93 (1995).
- (1995) Int. J. Quantum Chem., Symp. , vol.29 , pp. 93
- Görling, A.¹ Levy, M.²

16
- 0000619142
- S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 5455
- Ivanov, S.¹ Hirata, S.² Bartlett, R.J.³

17
- 0035933987
- S. Hirata, S. Ivanov, I. Grabowski, R. J. Bartlett, K. Burke, and J. D. Talman, J. Chem. Phys. 115, 1635 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 1635
- Hirata, S.¹ Ivanov, S.² Grabowski, I.³ Bartlett, R.J.⁴ Burke, K.⁵ Talman, J.D.⁶

18
- 0037201576
- W. Yang and Q. Wu, Phys. Rev. Lett. 89, 143002 (2002).
- (2002) Phys. Rev. Lett. , vol.89 , pp. 143002
- Yang, W.¹ Wu, Q.²

19
- 0346150047
- P. Mori-Sanchez, Q. Wu, and W. Yang, J. Chem. Phys. 119, 11001 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11001
- Mori-Sanchez, P.¹ Wu, Q.² Yang, W.³

20
- 0000442705
- A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 5459
- Görling, A.¹

21
- 36149005506
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953).
- (1953) Phys. Rev. , vol.90 , pp. 317
- Sharp, R.T.¹ Horton, G.K.²

22
- 11944252202
- J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 45, 101 (1992).
- (1992) Phys. Rev. A , vol.45 , pp. 101
- Krieger, J.B.¹ Li, Y.² Iafrate, G.J.³

23
- 0000843597
- R. van Leeuwen, O. V. Gritsenko, and E. J. Baerends, Z. Phys. D: At., Mol. Clusters 33, 229 (1995).
- (1995) Z. Phys. D: At., Mol. Clusters , vol.33 , pp. 229
- Van Leeuwen, R.¹ Gritsenko, O.V.² Baerends, E.J.³

24
- 0035471683
- O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 64, 042506 (2001).
- (2001) Phys. Rev. A , vol.64 , pp. 042506
- Gritsenko, O.V.¹ Baerends, E.J.²

25
- 0037091197
- M. Grüning, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 116, 6435 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 6435
- Grüning, M.¹ Gritsenko, O.V.² Baerends, E.J.³

26
- 0035475598
- F. Della Sala and A. Görling, J. Chem. Phys. 115, 5718 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 5718
- Della, S.F.¹ Görling, A.²

27
- 0037528946
- F. Della Sala and A. Görling, J. Chem. Phys. 118, 10439 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 10439
- Della, S.F.¹ Görling, A.²

28
- 4243841807
- J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 46, 5453 (1992).
- (1992) Phys. Rev. A , vol.46 , pp. 5453
- Krieger, J.B.¹ Li, Y.² Iafrate, G.J.³

29
- 0037473872
- S. Kümmel and J. P. Perdew, Phys. Rev. Lett. 90, 043004 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 043004
- Kümmel, S.¹ Perdew, J.P.²

30
- 0037085811
- S. Grabowski, S. Hirata, S. Ivanov, and R. J. Bartlett, J. Chem. Phys. 116, 4415 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 4415
- Grabowski, S.¹ Hirata, S.² Ivanov, S.³ Bartlett, R.J.⁴

31
- 33645591569
- R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 121, 1 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 1
- Bartlett, R.J.¹ Grabowski, I.² Hirata, S.³ Ivanov, S.⁴

32
- 0038399787
- M. Grüning, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 118, 7183 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 7183
- Grüning, M.¹ Gritsenko, O.V.² Baerends, E.J.³

33
- 0001097157
- M. A. Buijse, E. J. Baerends, and J. G. Snijders, Phys. Rev. A 40, 4190 (1989).
- (1989) Phys. Rev. A , vol.40 , pp. 4190
- Buijse, M.A.¹ Baerends, E.J.² Snijders, J.G.³

34
- 0003622719
- edited by D. E.Ellis (Kluwer Academic, Dordrecht
- M. A. Buijse and E. J. Baerends, in Electronic Density Functional Theory of Molecules, Clusters and Solids, edited by, D. E. Ellis, (Kluwer Academic, Dordrecht, 1995), p. 1.
- (1995) Electronic Density Functional Theory of Molecules, Clusters and Solids , pp. 1
- Buijse, M.A.¹ Baerends, E.J.²

35
- 39249084230
- E. J. Baerends, Phys. Rev. Lett. 87, 133004 (2001).
- (2001) Phys. Rev. Lett. , vol.87 , pp. 133004
- Baerends, E.J.¹

36
- 0037292470
- V. Polo, J. Gräfenstein, E. Kraka, and D. Cremer, Theor. Chem. Acc. 109, 22 (2003).
- (2003) Theor. Chem. Acc. , vol.109 , pp. 22
- Polo, V.¹ Gräfenstein, J.² Kraka, E.³ Cremer, D.⁴

37
- 4243669339
- R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994).
- (1994) Phys. Rev. A , vol.49 , pp. 2421
- Van Leeuwen, R.¹ Baerends, E.J.²

38
- 0001506902
- O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, Phys. Rev. A 52, 1870 (1995).
- (1995) Phys. Rev. A , vol.52 , pp. 1870
- Gritsenko, O.V.¹ Van Leeuwen, R.² Baerends, E.J.³

39
- 0001309745
- O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, J. Chem. Phys. 104, 8535 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 8535
- Gritsenko, O.V.¹ Van Leeuwen, R.² Baerends, E.J.³

40
- 0000002228
- O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 54, 1957 (1996).
- (1996) Phys. Rev. A , vol.54 , pp. 1957
- Gritsenko, O.V.¹ Baerends, E.J.²

41
- 0001668460
- O. V. Gritsenko, P. R. T. Schipper, and E. J. Baerends, J. Chem. Phys. 107, 5007 (1997).
- (1997) J. Chem. Phys. , vol.107 , pp. 5007
- Gritsenko, O.V.¹ Schipper, P.R.T.² Baerends, E.J.³

42
- 0001025825
- P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Phys. Rev. A 57, 1729 (1998).
- (1998) Phys. Rev. A , vol.57 , pp. 1729
- Schipper, P.R.T.¹ Gritsenko, O.V.² Baerends, E.J.³

43
- 0032221752
- P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Theor. Chem. Acc. 99, 329 (1998).
- (1998) Theor. Chem. Acc. , vol.99 , pp. 329
- Schipper, P.R.T.¹ Gritsenko, O.V.² Baerends, E.J.³

44
- 36449006587
- D. E. Woon and T. H. Dunning, J. Chem. Phys. 103, 4572 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 4572
- Woon, D.E.¹ Dunning, T.H.²

45
- 84946304276
- V. R. Saunders and J. H. van Lenthe, Mol. Phys. 48, 923 (1983).
- (1983) Mol. Phys. , vol.48 , pp. 923
- Saunders, V.R.¹ Van Lenthe, J.H.²

46
- 33645601341
- Ph.D. thesis, Vrije Universiteit ter Amsterdam
- M. A. Buijse, Ph.D. thesis, Vrije Universiteit ter Amsterdam, 1991.
- (1991)
- Buijse, M.A.¹

47
- 0000350665
- E. R. Davidson, S. A. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A 44, 7071 (1991).
- (1991) Phys. Rev. A , vol.44 , pp. 7071
- Davidson, E.R.¹ Hagstrom, S.A.² Chakravorty, S.J.³ Umar, V.M.⁴ Fischer, C.F.⁵

48
- 25344450852
- S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A 47, 3649 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 3649
- Chakravorty, S.J.¹ Gwaltney, S.R.² Davidson, E.R.³ Parpia, F.A.⁴ Fischer, C.F.⁵

49
- 0001190168
- A. Savin, H. Stoll, and H. Preuss, Theor. Chim. Acta 70, 407 (1986).
- (1986) Theor. Chim. Acta , vol.70 , pp. 407
- Savin, A.¹ Stoll, H.² Preuss, H.³

50
- 0003460779
- McGraw-Hill, New York
- J. C. Slater, Quantum Theory of Molecules and Solids (McGraw-Hill, New York, 1974), Vol. 4.
- (1974) Quantum Theory of Molecules and Solids , vol.4
- Slater, J.C.¹

51
- 0006453872
- M. Cook and M. Karplus, J. Phys. Chem. 91, 31 (1987).
- (1987) J. Phys. Chem. , vol.91 , pp. 31
- Cook, M.¹ Karplus, M.²

52
- 0041378230
- A. D. Becke, J. Chem. Phys. 119, 2972 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 2972
- Becke, A.D.¹

53
- 0035891014
- F. Furche, Phys. Rev. B 64, 195120 (2001).
- (2001) Phys. Rev. B , vol.64 , pp. 195120
- Furche, F.¹

54
- 0037096494
- M. Fuchs and X. Gonze, Phys. Rev. B 65, 235109 (2002).
- (2002) Phys. Rev. B , vol.65 , pp. 235109
- Fuchs, M.¹ Gonze, X.²

55
- 0000195497
- S. Kurth and J. P. Perdew, Phys. Rev. B 59, 10461 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 10461
- Kurth, S.¹ Perdew, J.P.²

56
- 0037156911
- F. Aryasetiawan, T. Miyake, and K. Terakura, Phys. Rev. Lett. 88, 166401 (2002).
- (2002) Phys. Rev. Lett. , vol.88 , pp. 166401
- Aryasetiawan, F.¹ Miyake, T.² Terakura, K.³

57
- 0038721480
- Y.-M. Niquet, M. Fuchs, and X. Gonze, Phys. Rev. Lett. 90, 219301 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 219301
- Niquet, Y.-M.¹ Fuchs, M.² Gonze, X.³

58
- 0037138925
- M. A. Buijse and E. J. Baerends, Mol. Phys. 100, 401 (2002).
- (2002) Mol. Phys. , vol.100 , pp. 401
- Buijse, M.A.¹ Baerends, E.J.²

59
- 0001596186
- A. M. K. Müller, Phys. Lett. 105A, 446 (1984).
- (1984) Phys. Lett. , vol.105 , pp. 446
- Müller, A.M.K.¹

60
- 0000588905
- S. Goedecker and C. Umrigar, Phys. Rev. Lett. 81, 866 (1998).
- (1998) Phys. Rev. Lett. , vol.81 , pp. 866
- Goedecker, S.¹ Umrigar, C.²

61
- 0000343517
- J. Cioslowski and K. Pernal, J. Chem. Phys. 111, 3396 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 3396
- Cioslowski, J.¹ Pernal, K.²

62
- 0000237309
- A. Holas, Phys. Rev. A 59, 3454 (1999).
- (1999) Phys. Rev. A , vol.59 , pp. 3454
- Holas, A.¹

63
- 0037965419
- G. Csanyi and T. A. Arias, Phys. Rev. B 61, 7348 (2000).
- (2000) Phys. Rev. B , vol.61 , pp. 7348
- Csanyi, G.¹ Arias, T.A.²

64
- 33646204489
- K. Yasuda, Phys. Rev. A 63, 032517 (2001).
- (2001) Phys. Rev. A , vol.63 , pp. 032517
- Yasuda, K.¹

65
- 84984054094
- W. L. Luken, Int. J. Quantum Chem. 22, 889 (1982).
- (1982) Int. J. Quantum Chem. , vol.22 , pp. 889
- Luken, W.L.¹

66
- 0011448539
- W. L. Luken and J. C. Culberson, Theor. Chim. Acta 66, 279 (1984).
- (1984) Theor. Chim. Acta , vol.66 , pp. 279
- Luken, W.L.¹ Culberson, J.C.²

67
- 0036566980
- S. Hamel, P. Duffy, M. E. Casida, and D. R. Salahub, J. Electron Spectrosc. Relat. Phenom. 123, 345 (2002).
- (2002) J. Electron Spectrosc. Relat. Phenom. , vol.123 , pp. 345
- Hamel, S.¹ Duffy, P.² Casida, M.E.³ Salahub, D.R.⁴

68
- 0037088373
- S. Hamel, M. E. Casida, and D. R. Salahub, J. Chem. Phys. 116, 8276 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 8276
- Hamel, S.¹ Casida, M.E.² Salahub, D.R.³

69
- 0000629309
- O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, J. Chem. Phys. 101, 8955 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 8955
- Gritsenko, O.V.¹ Van Leeuwen, R.² Baerends, E.J.³

70
- 0000695754
- E. Engel, A. Faco Bonetti, S. Keller, I. Andrejkovics, and R. M. Dreizler, Phys. Rev. A 58, 964 (1998).
- (1998) Phys. Rev. A , vol.58 , pp. 964
- Engel, E.¹ Faco, B.A.² Keller, S.³ Andrejkovics, I.⁴ Dreizler, R.M.⁵

71
- 0035848291
- A. Facco Bonetti, E. Engel, R. N. Schmid, and R. M. Dreizler, Phys. Rev. Lett. 86, 2241 (2001).
- (2001) Phys. Rev. Lett. , vol.86 , pp. 2241
- Facco, B.A.¹ Engel, E.² Schmid, R.N.³ Dreizler, R.M.⁴

72
- 0041378197
- Q. Wu, P. Ayers, and W. Yang, J. Chem. Phys. 119, 2978 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 2978
- Wu, Q.¹ Ayers, P.² Yang, W.³

73
- 0037091217
- S. Hirata, S. Ivanov, I. Grabowski, and R. J. Bartlett, J. Chem. Phys. 116, 6468 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 6468
- Hirata, S.¹ Ivanov, S.² Grabowski, I.³ Bartlett, R.J.⁴

74
- 0037179345
- Y.-H. Kim and A. Görling, Phys. Rev. Lett. 89, 096402 (2002).
- (2002) Phys. Rev. Lett. , vol.89 , pp. 096402
- Kim, Y.-H.¹ Görling, A.²

75
- 0347682283
- T. Hupp, B. Engels, and A. Görling, J. Chem. Phys. 119, 11591 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11591
- Hupp, T.¹ Engels, B.² Görling, A.³

76
- 0001297864
- O. V. Gritsenko, P. R. T. Schipper, and E. J. Baerends, Chem. Phys. Lett. 302, 199 (1999).
- (1999) Chem. Phys. Lett. , vol.302 , pp. 199
- Gritsenko, O.V.¹ Schipper, P.R.T.² Baerends, E.J.³

77
- 0000211269
- P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 112, 1344 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 1344
- Schipper, P.R.T.¹ Gritsenko, O.V.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

78
- 0037042636
- M. Grüning, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 116, 9591 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 9591
- Grüning, M.¹ Gritsenko, O.V.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

79
- 0035810497
- A. Rosa, G. Ricciardi, E. J. Baerends, and S. J. A. van Gisbergen, J. Phys. Chem. A 105, 3311 (2001).
- (2001) J. Phys. Chem. A , vol.105 , pp. 3311
- Rosa, A.¹ Ricciardi, G.² Baerends, E.J.³ Van Gisbergen, S.J.A.⁴

80
- 0035979142
- A. Rosa, G. Ricciardi, and E. J. Baerends, J. Phys. Chem. 105, 5242 (2001).
- (2001) J. Phys. Chem. , vol.105 , pp. 5242
- Rosa, A.¹ Ricciardi, G.² Baerends, E.J.³

81
- 3343023108
- S. J. A. van Gisbergen, P. R. T. Schipper, O. V. Gritsenko, E. J. Baerends, J. G. Snijders, B. Champagne, and B. Kirtman, Phys. Rev. Lett. 83, 694 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 694
- Van Gisbergen, S.J.A.¹ Schipper, P.R.T.² Gritsenko, O.V.³ Baerends, E.J.⁴ Snijders, J.G.⁵ Champagne, B.⁶ Kirtman, B.⁷

82
- 0034228891
- O. V. Gritsenko, S. J. A. van Gisbergen, P. R. T. Schipper, and E. J. Baerends, Phys. Rev. A 62, 012507 (2000).
- (2000) Phys. Rev. A , vol.62 , pp. 012507
- Gritsenko, O.V.¹ Van Gisbergen, S.J.A.² Schipper, P.R.T.³ Baerends, E.J.⁴

83
- 0001356875
- R. W. Godby and L. J. Sham, Phys. Rev. B 49, 1849 (1994).
- (1994) Phys. Rev. B , vol.49 , pp. 1849
- Godby, R.W.¹ Sham, L.J.²

84
- 3342914252
- X. Gonze, P. Ghosez, and R. W. Godby, Phys. Rev. Lett. 74, 4035 (1995).
- (1995) Phys. Rev. Lett. , vol.74 , pp. 4035
- Gonze, X.¹ Ghosez, P.² Godby, R.W.³

85
- 0030576780
- R. Resta, Phys. Rev. Lett. 77, 2265 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 2265
- Resta, R.¹

86
- 0000530316
- R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997).
- (1997) Phys. Rev. B , vol.56 , pp. 1124
- Martin, R.M.¹ Ortiz, G.²

87
- 0031273081
- D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997).
- (1997) Phys. Rev. Lett. , vol.79 , pp. 3966
- Vanderbilt, D.¹

88
- 0001561430
- G. Ortiz, I. Souza, and M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 353
- Ortiz, G.¹ Souza, I.² Martin, M.³

89
- 0001518498
- M. Sodupe, J. Bertran, L. Rodriguez-Santiago, and E. J. Baerends, J. Phys. Chem. A 103, 166 (1998).
- (1998) J. Phys. Chem. A , vol.103 , pp. 166
- Sodupe, M.¹ Bertran, J.² Rodriguez-Santiago, L.³ Baerends, E.J.⁴

90
- 0000438332
- Y. Zhang and W. Yang, J. Chem. Phys. 109, 2604 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 2604
- Zhang, Y.¹ Yang, W.²

91
- 0038527530
- B. Champagne, E. A. Perpete, S. J. A. van Gisbergen, E. J. Baerends, J. G. Snijders, C. Soubra-Ghaoui, K. Robins, and B. Kirtman, J. Chem. Phys. 109, 10489 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 10489
- Champagne, B.¹ Perpete, E.A.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴ Snijders, J.G.⁵ Soubra-Ghaoui, C.⁶ Robins, K.⁷ Kirtman, B.⁸

92
- 0026171362
- J. P. Perdew, Physica B 172, 1 (1991).
- (1991) Physica B , vol.172 , pp. 1
- Perdew, J.P.¹

93
- 23244460838
- J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

94
- 0000082356
- B. Champagne, D. H. Mosley, M. Vracko, and J. M. Andre, Phys. Rev. A 52, 178 (1995).
- (1995) Phys. Rev. A , vol.52 , pp. 178
- Champagne, B.¹ Mosley, D.H.² Vracko, M.³ Andre, J.M.⁴

95
- 0003759441
- edited by D. P.Chong (World Scientific, Singapore
- M. Casida, in Recent Advances in Density Functional Methods, edited by, D. P. Chong, (World Scientific, Singapore, 1995), Vol. 1.
- (1995) Recent Advances in Density Functional Methods , vol.1
- Casida, M.¹

96
- 0000641673
- T. Koopmans, Physica (Amsterdam) 1, 104 (1933).
- (1933) Physica (Amsterdam) , vol.1 , pp. 104
- Koopmans, T.¹

97
- 0036470325
- D. P. Chong, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 116, 1760 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 1760
- Chong, D.P.¹ Gritsenko, O.V.² Baerends, E.J.³

98
- 0037159964
- O. V. Gritsenko and E. J. Baerends, J. Chem. Phys. 117, 9154 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 9154
- Gritsenko, O.V.¹ Baerends, E.J.²

99
- 0042709254
- O. V. Gritsenko, B. Braida, and E. J. Baerends, J. Chem. Phys. 119, 1937 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 1937
- Gritsenko, O.V.¹ Braida, B.² Baerends, E.J.³

100
- 2542476143
- O. V. Gritsenko and E. J. Baerends, J. Chem. Phys. 120, 8364 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 8364
- Gritsenko, O.V.¹ Baerends, E.J.²

101
- 0001132752
- J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Phys. Rev. Lett. 49, 1691 (1982).
- (1982) Phys. Rev. Lett. , vol.49 , pp. 1691
- Perdew, J.P.¹ Parr, R.G.² Levy, M.³ Balduz, J.L.⁴

102
- 24544463188
- M. Levy, J. P. Perdew, and V. Sahni, Phys. Rev. A 30, 2745 (1984).
- (1984) Phys. Rev. A , vol.30 , pp. 2745
- Levy, M.¹ Perdew, J.P.² Sahni, V.³

103
- 0001754877
- C. O. Almbladh and A. C. Pedroza, Phys. Rev. A 29, 2322 (1984).
- (1984) Phys. Rev. A , vol.29 , pp. 2322
- Almbladh, C.O.¹ Pedroza, A.C.²

104
- 0000724274
- C. O. Almbladh and U. von Barth, Phys. Rev. B 31, 3231 (1985).
- (1985) Phys. Rev. B , vol.31 , pp. 3231
- Almbladh, C.O.¹ Von Barth, U.²

105
- 0003716590
- Wiley-Interscience, New York
- D. W. Turner, C. Baker, A. D. Baker, and C. R. Brundle, Molecular Photoelectron Spectroscopy (Wiley-Interscience, New York, 1971).
- (1971) Molecular Photoelectron Spectroscopy
- Turner, D.W.¹ Baker, C.² Baker, A.D.³ Brundle, C.R.⁴

106
- 0000713031
- P. Baltzer, M. Larsson, L. Karlsson, B. Wannberg, and C. Göthe, Phys. Rev. A 46, 5545 (1992).
- (1992) Phys. Rev. A , vol.46 , pp. 5545
- Baltzer, P.¹ Larsson, M.² Karlsson, L.³ Wannberg, B.⁴ Göthe, C.⁵

107
- 0344639800
- G. Bieri, A. Schmelzer, L. Asbrink, and M. Jonsson, Chem. Phys. 49, 213 (1980).
- (1980) Chem. Phys. , vol.49 , pp. 213
- Bieri, G.¹ Schmelzer, A.² Asbrink, L.³ Jonsson, M.⁴

108
- 0000730648
- C. R. Brundle, M. B. Robin, N. A. Kuebler, and H. J. Basch, J. Am. Chem. Soc. 94, 1451 (1972).
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 1451
- Brundle, C.R.¹ Robin, M.B.² Kuebler, N.A.³ Basch, H.J.⁴

109
- 0000563653
- L. Asbrink, A. Svensson, W. von Niessen, and G. Bieri, J. Electron Spectrosc. Relat. Phenom. 24, 293 (1981).
- (1981) J. Electron Spectrosc. Relat. Phenom. , vol.24 , pp. 293
- Asbrink, L.¹ Svensson, A.² Von Niessen, W.³ Bieri, G.⁴

110
- 0000287603
- M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 4439
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

111
- 0000905794
- D. J. Tozer and N. C. Handy, J. Chem. Phys. 109, 10180 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 10180
- Tozer, D.J.¹ Handy, N.C.²

112
- 0037842487
- M. Grüning, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 114, 652 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 652
- Grüning, M.¹ Gritsenko, O.V.² Van Gisbergen, S.J.A.³ Baerends, E.J.⁴

113
- 0034319444
- M. E. Casida, F. Gutierrez, J. Guan, F.-X. Gadea, D. R. Salahub, and J.-P. Daudey, J. Chem. Phys. 113, 7062 (2000).
- (2000) J. Chem. Phys. , vol.113 , pp. 7062
- Casida, M.E.¹ Gutierrez, F.² Guan, J.³ Gadea, F.-X.⁴ Salahub, D.R.⁵ Daudey, J.-P.⁶

114
- 0042881198
- A. Dreuw, J. L. Weisman, and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 2943
- Dreuw, A.¹ Weisman, J.L.² Head-Gordon, M.³

115
- 3242660081
- O. V. Gritsenko and E. J. Baerends, J. Chem. Phys. 121, 655 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 655
- Gritsenko, O.V.¹ Baerends, E.J.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.