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Journal of Chemical Physics

Volumn 109, Issue 23, 1998, Pages 10180-10189

Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

(2) Tozer, David J a Handy, Nicholas C a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000905794 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.477711 Document Type: Article

Times cited : (931)

References (49)

1
- 0000812676
- J. P. Perdew and M. Levy, Phys. Rev. B 56, 16021 (1997).
- (1997) Phys. Rev. B , vol.56 , pp. 16021
- Perdew, J.P.¹ Levy, M.²

2
- 4243553426
- A. D. Becke, Phys. Rev. A 38, 3098 (1988);
- (1988) Phys. Rev. a , vol.38 , pp. 3098
- Becke, A.D.¹

3
- 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

4
- 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

5
- 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

6
- 0001987985
- S. A. C. McDowell, R. D. Amos, and N. C. Handy, Chem. Phys. Lett. 235, 1 (1995).
- (1995) Chem. Phys. Lett. , vol.235 , pp. 1
- McDowell, S.A.C.¹ Amos, R.D.² Handy, N.C.³

7
- 1542595937
- E. K. U. Gross and W. Kohn, Adv. Quantum Chem. 21, 255 (1990).
- (1990) Adv. Quantum Chem. , vol.21 , pp. 255
- Gross, E.K.U.¹ Kohn, W.²

8
- 0003628235
- in Density Functional Theory, edited by E. K. U. Gross and R. M. Dreizler Plenum, New York
- E. K. U. Gross, C. A. Ullrich, and U. J. Gossmann, in Density Functional Theory, edited by E. K. U. Gross and R. M. Dreizler, NATO ASI Series (Plenum, New York, 1994), p. 149.
- (1994) NATO ASI Series , pp. 149
- Gross, E.K.U.¹ Ullrich, C.A.² Gossmann, U.J.³

9
- 0001157659
- in edited by D. P. Chong Singapore, World Scientific
- M. E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by D. P. Chong (Singapore, World Scientific, 1995), p. 155.
- (1995) Recent Advances in Density Functional Methods , Issue.1 PART , pp. 155
- Casida, M.E.¹

10
- 0003628235
- in Density Functional Theory II, edited by R. F. Nalewajski Springer, Berlin
- E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory II, edited by R. F. Nalewajski, Vol. 181 of Topics in Current Chemistry (Springer, Berlin, 1996), p. 81.
- (1996) Vol. 181 of Topics in Current Chemistry , vol.181 , pp. 81
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, M.³

11
- 0030570285
- R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

12
- 0000216088
- S. M. Colwell, N. C. Handy, and A. M. Lee, Phys. Rev. A 53, 1316 (1996).
- (1996) Phys. Rev. a , vol.53 , pp. 1316
- Colwell, S.M.¹ Handy, N.C.² Lee, A.M.³

13
- 0003060364
- B. O. Roos, K. Andersson, and M. P. Fulscher, Chem. Phys. Lett. 192, 5 (1992).
- (1992) Chem. Phys. Lett. , vol.192 , pp. 5
- Roos, B.O.¹ Andersson, K.² Fulscher, M.P.³

14
- 11744309658
- A. M. Lee, N. C. Handy, and S. M. Colwell, J. Chem. Phys. 103, 10095 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 10095
- Lee, A.M.¹ Handy, N.C.² Colwell, S.M.³

15
- 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

16
- 3343011193
- J. P. Perdew and M. Levy, Phys. Rev. Lett. 51, 1884 (1983).
- (1983) Phys. Rev. Lett. , vol.51 , pp. 1884
- Perdew, J.P.¹ Levy, M.²

17
- 0000260181
- J. P. Perdew and K. Burke, Int. J. Quantum Chem. 57, 309 (1996).
- (1996) Int. J. Quantum Chem. , vol.57 , pp. 309
- Perdew, J.P.¹ Burke, K.²

18
- 0343409998
- D. J. Tozer and N. C. Handy, J. Chem. Phys. 108, 2545 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 2545
- Tozer, D.J.¹ Handy, N.C.²

19
- 0000472229
- D. J. Tozer and N. C. Handy, J. Phys. Chem. A 102, 3162 (1998).
- (1998) J. Phys. Chem. a , vol.102 , pp. 3162
- Tozer, D.J.¹ Handy, N.C.²

20
- 0000384397
- J. Katriel and E. R. Davidson, Proc. Natl. Acad. Sci. USA 77, 4403 (1980).
- (1980) Proc. Natl. Acad. Sci. USA , vol.77 , pp. 4403
- Katriel, J.¹ Davidson, E.R.²

21
- 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

22
- 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

23
- 0000447712
- D. J. Tozer, Phys. Rev. A 56, 2726 (1997).
- (1997) Phys. Rev. a , vol.56 , pp. 2726
- Tozer, D.J.¹

24
- 0032372024
- P. Politzer and F. AbuAwwad, Theor. Chem. Acc. 99, 83 (1998).
- (1998) Theor. Chem. Acc. , vol.99 , pp. 83
- Politzer, P.¹ Abuawwad, F.²

25
- 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

26
- 0000630930
- Q. Zhao, R. C. Morrison, and R. G. Parr, Phys. Rev. A 50, 2138 (1994).
- (1994) Phys. Rev. a , vol.50 , pp. 2138
- Zhao, Q.¹ Morrison, R.C.² Parr, R.G.³

27
- 0001473314
- J. C. Slater, J. Chem. Phys. 41, 3199 (1964); but for H we use 0.35 Å.
- (1964) J. Chem. Phys. , vol.41 , pp. 3199
- Slater, J.C.¹

28
- 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

29
- 0000174628
- S. J. A. van Gisbergen, C. P. Osinga, O. V. Gritsenko, R. van Leeuwen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 105, 3142 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 3142
- Van Gisbergen, S.J.A.¹ Osinga, C.P.² Gritsenko, O.V.³ Van Leeuwen, R.⁴ Snijders, J.G.⁵ Baerends, E.J.⁶

30
- 0000621478
- S. J. A. van Gisbergen, F. Kootstra, P. R. T. Schipper, O. V. Gritsenko, J. G. Snijders, and E. J. Baerends, Phys. Rev. A 57, 2556 (1998).
- (1998) Phys. Rev. a , vol.57 , pp. 2556
- Van Gisbergen, S.J.A.¹ Kootstra, F.² Schipper, P.R.T.³ Gritsenko, O.V.⁴ Snijders, J.G.⁵ Baerends, E.J.⁶

31
- 0031577237
- D. J. Tozer, N. C. Handy, and W. H. Green, Chem. Phys. Lett. 273, 183 (1997).
- (1997) Chem. Phys. Lett. , vol.273 , pp. 183
- Tozer, D.J.¹ Handy, N.C.² Green, W.H.³

32
- 0011143186
- C. Jamorski, M. E. Casida, and D. R. Salahub, J. Chem. Phys. 104, 5134 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 5134
- Jamorski, C.¹ Casida, M.E.² Salahub, D.R.³

33
- 0012459223
- M. Petersilka, U. J. Gossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
- (1996) Phys. Rev. Lett. , vol.76 , pp. 1212
- Petersilka, M.¹ Gossmann, U.J.² Gross, E.K.U.³

34
- 0000200694
- M. Petersilka and E. K. U. Gross, Int. J. Quantum Chem., Symp. 30, 181 (1996).
- (1996) Int. J. Quantum Chem., Symp. , vol.30 , pp. 181
- Petersilka, M.¹ Gross, E.K.U.²

35
- 0031584630
- R. Bauernschmitt, M. Häser, O. Treutler, and R. Ahlrichs, Chem. Phys. Lett. 264, 573 (1997).
- (1997) Chem. Phys. Lett. , vol.264 , pp. 573
- Bauernschmitt, R.¹ Häser, M.² Treutler, O.³ Ahlrichs, R.⁴

36
- 0001583597
- A. J. Sadlej, Collect. Czech. Chem. Commun. 53, 1995 (1988).
- (1988) Collect. Czech. Chem. Commun. , vol.53 , pp. 1995
- Sadlej, A.J.¹

37
- 1542478809
- A. J. Sadlej, Theor. Chim. Acta 79, 123 (1991).
- (1991) Theor. Chim. Acta , vol.79 , pp. 123
- Sadlej, A.J.¹

38
- 0001070592
- N. C. Handy and D. J. Tozer, Mol. Phys. 94, 707 (1998).
- (1998) Mol. Phys. , vol.94 , pp. 707
- Handy, N.C.¹ Tozer, D.J.²

39
- 36749107716
- E. S. Nielsen, P. Jørgensen, and J. Oddershede, J. Chem. Phys. 73, 6238 (1980);
- (1980) J. Chem. Phys. , vol.73 , pp. 6238
- Nielsen, E.S.¹ Jørgensen, P.² Oddershede, J.³

40
- 0003919080
- Van Nostrand Reinhold, New York
- K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
- (1979) Constants of Diatomic Molecules
- Huber, K.P.¹ Herzberg, G.²

41
- 0000052175
- S. B. Ben-Shlomo and U. Kaldor, J. Chem. Phys. 92, 3680 (1990).
- (1990) J. Chem. Phys. , vol.92 , pp. 3680
- Ben-Shlomo, S.B.¹ Kaldor, U.²

42
- 0002807177
- D. J. Clouthier and D. A. Ramsay, Annu. Rev. Phys. Chem. 34, 31 (1983);
- (1983) Annu. Rev. Phys. Chem. , vol.34 , pp. 31
- Clouthier, D.J.¹ Ramsay, D.A.²

43
- 0001128619
- S. Taylor, D. G. Wilden, and J. Comer, Chem. Phys. 70, 291 (1982).
- (1982) Chem. Phys. , vol.70 , pp. 291
- Taylor, S.¹ Wilden, D.G.² Comer, J.³

44
- 0004705927
- L. Serrano-Andrés, M. Merchán, I. Nebot-Gil, R. Lindh, and B. O. Roos, J. Chem. Phys. 98, 3151 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 3151
- Serrano-Andrés, L.¹ Merchán, M.² Nebot-Gil, I.³ Lindh, R.⁴ Roos, B.O.⁵

45
- 33751157732
- P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994).
- (1994) J. Phys. Chem. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

46
- 0032557335
- A. Savin, C. J. Umrigar, and X. Gonze, Chem. Phys. Lett. 288, 391 (1998).
- (1998) Chem. Phys. Lett. , vol.288 , pp. 391
- Savin, A.¹ Umrigar, C.J.² Gonze, X.³

47
- 0000780619
- M. A. Spackman, J. Chem. Phys. 94, 1288 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 1288
- Spackman, M.A.¹

48
- 0032503758
- C. Van Caillie and R. D. Amos, Chem. Phys. Lett. 291, 71 (1998).
- (1998) Chem. Phys. Lett. , vol.291 , pp. 71
- Van Caillie, C.¹ Amos, R.D.²

49
- 22244465378
- submitted
- A. J. Cohen and Y. Tantirungrotechai (submitted).
- Cohen, A.J.¹ Tantirungrotechai, Y.²

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