SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 108, Issue 6, 1998, Pages 2545-2555

The development of new exchange-correlation functionals

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

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0343409998 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.475638 Document Type: Article

Times cited : (142)

References (37)

1
- 84959186380
- P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26, 376 (1930); S. J. Vosko. L. Wilk, and M. Nusair. Can. J. Phys. 58, 1200 (1980).
- (1930) Proc. Cambridge Philos. Soc. , vol.26 , pp. 376
- Dirac, P.A.M.¹

2
- 84959186380
- P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26, 376 (1930); S. J. Vosko. L. Wilk, and M. Nusair. Can. J. Phys. 58, 1200 (1980).
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.J.¹ Wilk, L.² Nusair, M.³

3
- 4243553426
- A. D. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

4
- 0000189651
- A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

5
- 0030593020
- V. E. Ingamells and N. C. Handy. Chem. Phys. Lett. 248, 373 (1996).
- (1996) Chem. Phys. Lett. , vol.248 , pp. 373
- Ingamells, V.E.¹ Handy, N.C.²

6
- 0000630930
- Q. Zhao, R. C. Morrison, and R. G. Past, Phys. Rev. A 50, 2138 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 2138
- Zhao, Q.¹ Morrison, R.C.² Past, R.G.³

7
- 0002877522
- edited by R. M. Dreizler and J. da Providencia Plenum, New York
- M. Levy and J. P. Perdew, in Density Functional Methods in Physics. edited by R. M. Dreizler and J. da Providencia (Plenum, New York. 1985). pp. 11-30.
- (1985) Density Functional Methods in Physics , pp. 11-30
- Levy, M.¹ Perdew, J.P.²

8
- 0001652357
- R. Kobayashi, R. D. Amos. and N. C. Handy, J. Chem. Phys. 100, 1375 (1994).
- (1994) J. Chem. Phys. , vol.100 , pp. 1375
- Kobayashi, R.¹ Amos, R.D.² Handy, N.C.³

9
- 0001203704
- D. J. Tozer, V. E. Ingamells, and N. C. Handy, J. Chem. Phys. 105, 9200 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 9200
- Tozer, D.J.¹ Ingamells, V.E.² Handy, N.C.³

10
- 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

11
- 0001132752
- J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., 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 Jr., J.L.⁴

12
- 0000058492
- J. F. Janak, Phys. Rev. B 18, 7165 (1978).
- (1978) Phys. Rev. B , vol.18 , pp. 7165
- Janak, J.F.¹

13
- 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

14
- 0345491105
- C. Lee, W. Yang, and R. G. Part, Phys. Rev. B 37, 785 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Part, R.G.³

15
- 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

16
- 0000447712
- D. J. Tozer, Phys. Rev. A 56, 2726 (1997).
- (1997) Phys. Rev. A , vol.56 , pp. 2726
- Tozer, D.J.¹

17
- 11744346863
- edited by D. P. Chong World Scientific, Singapore
- D. J. Tozzer and N. C. Handy, Recent Achvances in Density Functional Methods, Part II, edited by D. P. Chong (World Scientific, Singapore, 1997), pp. 1-14.
- (1997) Recent Achvances in Density Functional Methods, Part II , pp. 1-14
- Tozzer, D.J.¹ Handy, N.C.²

18
- 0011615880
- P. M. W. Gill and J. A. Pople, Phys. Rev. A 47, 2383 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 2383
- Gill, P.M.W.¹ Pople, J.A.²

19
- 35348906888
- T. H. Dunning, J. Chem. Phys. 55, 716 (1971).
- (1971) J. Chem. Phys. , vol.55 , pp. 716
- Dunning, T.H.¹

20
- 36849140788
- S. Huzinaga, J. Chem. Phys. 42, 1293 (1965).
- (1965) J. Chem. Phys. , vol.42 , pp. 1293
- Huzinaga, S.¹

21
- 0000350665
- E. R. Davidson, S. A. Hagstrom, S J. Chakraavorty, V. Meiser Umor, and C. Froese Fischer, Phys. Rev. A 44, 7071 (1991): L. A. Curtiss, K. Ragha-vachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991); J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and I. A. Curtiss, ibid. 90, 5622 (1989).
- (1991) Phys. Rev. A , vol.44 , pp. 7071
- Davidson, E.R.¹ Hagstrom, S.A.² Chakraavorty, S.J.³ Meiser Umor, V.⁴ Froese Fischer, C.⁵

22
- 0041401966
- E. R. Davidson, S. A. Hagstrom, S J. Chakraavorty, V. Meiser Umor, and C. Froese Fischer, Phys. Rev. A 44, 7071 (1991): L. A. Curtiss, K. Ragha-vachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991); J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and I. A. Curtiss, ibid. 90, 5622 (1989).
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Ragha-vachari, K.² Trucks, G.W.³ Pople, J.A.⁴

23
- 36549094943
- E. R. Davidson, S. A. Hagstrom, S J. Chakraavorty, V. Meiser Umor, and C. Froese Fischer, Phys. Rev. A 44, 7071 (1991): L. A. Curtiss, K. Ragha-vachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991); J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and I. A. Curtiss, ibid. 90, 5622 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 5622
- Pople, J.A.¹ Head-Gordon, M.² Fox, D.J.³ Raghavachari, K.⁴ Curtiss, I.A.⁵

24
- 0001458652
- E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 13164
- Engel, E.¹ Vosko, S.H.²

25
- 85034308281
- The Cambridge Analytic Derivatives Package, Cambridge, UK
- R. D. Amos, I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, G. J. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, P. Palmieri, J. E. Rice, E. D. Simandiras, A. J. Stone, M-D. Su, and D. J. Tozer, 1995, CADPAC6.0, The Cambridge Analytic Derivatives Package, Cambridge, UK.
- 1995, CADPAC6.0
- Amos, R.D.¹ Alberts, I.L.² Andrews, J.S.³ Colwell, S.M.⁴ Handy, N.C.⁵ Jayatilaka, D.⁶ Knowles, P.J.⁷ Kobayashi, R.⁸ Laming, G.J.⁹ Lee, A.M.¹⁰ Maslen, P.E.¹¹ Murray, C.W.¹² Palmieri, P.¹³ Rice, J.E.¹⁴ Simandiras, E.D.¹⁵ Stone, A.J.¹⁶ Su, M.-D.¹⁷ Tozer, D.J.¹⁸

26
- 0000970358
- R. G. Parr and S. K. Ghash, Phys. Rev. A 51, 3564 (1995).
- (1995) Phys. Rev. A , vol.51 , pp. 3564
- Parr, R.G.¹ Ghash, S.K.²

27
- 0002666265
- R. Neumann, R. H. Nobes, and N. C. Handy, Mol. Phys. 87, 1 (1996).
- (1996) Mol. Phys. , vol.87 , pp. 1
- Neumann, R.¹ Nobes, R.H.² Handy, N.C.³

28
- 84973339075
- CRC, Malabar, FL
- Handbook of Chemistry and Physics (CRC, Malabar, FL, 1995).
- (1995) Handbook of Chemistry and Physics

29
- 0001847037
- B. G. Johnson, C. A. Gonzales, P. M. W. Gill, and J. A. Pople, Chem. Phys. Lett. 221, 100 (1994).
- (1994) Chem. Phys. Lett. , vol.221 , pp. 100
- Johnson, B.G.¹ Gonzales, C.A.² Gill, P.M.W.³ Pople, J.A.⁴

30
- 0000808049
- D. L. Diedrich and J. B. Anderson, Science 258, 786 (1992).
- (1992) Science , vol.258 , pp. 786
- Diedrich, D.L.¹ Anderson, J.B.²

31
- 34249012964
- W. R. Schulz and D J. LeRoy, J. Chem. Phys. 42, 3869 (1965).
- (1965) J. Chem. Phys. , vol.42 , pp. 3869
- Schulz, W.R.¹ LeRoy, D.J.²

32
- 85034290277
- private communication
- D. G. Truhlar (private communication).
- Truhlar, D.G.¹

33
- 36149005506
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953); J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); T. Grabo and E. K. U. Gross, Chem. Phys. Lett. 240, 141 (1995); E. Engel and S. H. Vosko, Phys. Rev. A 47, 2800 (1993).
- (1953) Phys. Rev. , vol.90 , pp. 317
- Sharp, R.T.¹ Horton, G.K.²

34
- 0001847092
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953); J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); T. Grabo and E. K. U. Gross, Chem. Phys. Lett. 240, 141 (1995); E. Engel and S. H. Vosko, Phys. Rev. A 47, 2800 (1993).
- (1976) Phys. Rev. A , vol.14 , pp. 36
- Talman, J.D.¹ Shadwick, W.F.²

35
- 34247205438
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953); J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); T. Grabo and E. K. U. Gross, Chem. Phys. Lett. 240, 141 (1995); E. Engel and S. H. Vosko, Phys. Rev. A 47, 2800 (1993).
- (1995) Chem. Phys. Lett. , vol.240 , pp. 141
- Grabo, T.¹ Gross, E.K.U.²

36
- 0000565536
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953); J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); T. Grabo and E. K. U. Gross, Chem. Phys. Lett. 240, 141 (1995); E. Engel and S. H. Vosko, Phys. Rev. A 47, 2800 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 2800
- Engel, E.¹ Vosko, S.H.²

37
- 0038432047
- American Chemical Society, Washington, DC
- M. J. S. Dewar, A Semi-Empirical Life (American Chemical Society, Washington, DC, 1992).
- (1992) A Semi-Empirical Life
- Dewar, M.J.S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.