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European Physical Journal D

Volumn 10, Issue 3, 2000, Pages 399-414

Computed structures and energetics of ionic neon clusters using DFT correlation corrections

(2) Gianturco, F A a Sebastianelli, F a

a SAPIENZA UNIVERSITY OF ROME (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION CORRECTIONS; DENSITY FUNCTIONALS; HARTREE-FOCK LEVELS; IONIC CLUSTERS; IONIC MOIETIES; IONIC NEON CLUSTERS; NEON ATOMS; OUTER SHELLS; STRUCTURE AND ENERGETICS; WEAK BINDING;

NEON;

EID: 0034195418 PISSN: 14346060 EISSN: None Source Type: Journal
DOI: 10.1007/s100530050563 Document Type: Article

Times cited : (10)

References (58)

1
- 0001968287
- M.R. Hoare, Adv. Chem. Phys. 40, 49 (1979); M. Amarouche, G. Durand, J.P. Malrieu, J. Chem. Phys. 88, 1010 (1988); H.U. Bohmer, S.D. Peyerimhoff, Z. Phys. D 11, 239 (1989).
- (1979) Adv. Chem. Phys. , vol.40 , pp. 49
- Hoare, M.R.¹

2
- 36549094528
- M.R. Hoare, Adv. Chem. Phys. 40, 49 (1979); M. Amarouche, G. Durand, J.P. Malrieu, J. Chem. Phys. 88, 1010 (1988); H.U. Bohmer, S.D. Peyerimhoff, Z. Phys. D 11, 239 (1989).
- (1988) J. Chem. Phys. , vol.88 , pp. 1010
- Amarouche, M.¹ Durand, G.² Malrieu, J.P.³

3
- 0001534257
- M.R. Hoare, Adv. Chem. Phys. 40, 49 (1979); M. Amarouche, G. Durand, J.P. Malrieu, J. Chem. Phys. 88, 1010 (1988); H.U. Bohmer, S.D. Peyerimhoff, Z. Phys. D 11, 239 (1989).
- (1989) Z. Phys. D , vol.11 , pp. 239
- Bohmer, H.U.¹ Peyerimhoff, S.D.²

4
- 36549096977
- T.J. Beck, J.D. Doll, D. Freeman, J. Chem. Phys. 90, 5651 (1990).
- (1990) J. Chem. Phys. , vol.90 , pp. 5651
- Beck, T.J.¹ Doll, J.D.² Freeman, D.³

5
- 36549097315
- D.J. Wales, R.S. Berry, J. Chem. Phys. 92, 4283 (1990).
- (1990) J. Chem. Phys. , vol.92 , pp. 4283
- Wales, D.J.¹ Berry, R.S.²

6
- 0000248456
- I. Last, T.F. George, J. Chem. Phys. 98, 6406 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 6406
- Last, I.¹ George, T.F.²

7
- 0001243526
- K. Norwood, J.-H. Guo, C.Y. Ng, J. Chem. Phys. 90, 2995 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 2995
- Norwood, K.¹ Guo, J.-H.² Ng, C.Y.³

8
- 0001355299
- M. Rosi, C.W. Bauschlicher, Chem. Phys. Lett. 159, 479 (1989).
- (1989) Chem. Phys. Lett. , vol.159 , pp. 479
- Rosi, M.¹ Bauschlicher, C.W.²

9
- 0001734555
- J. Hesslich, P.J. Kuntz, Z. Phys. D 2, 551 (1990).
- (1990) Z. Phys. D , vol.2 , pp. 551
- Hesslich, J.¹ Kuntz, P.J.²

10
- 0030582273
- F.A. Gianturco, P. De Lara-Castells, F. Schneider, Chem. Phys. Lett. 259, 641 (1996).
- (1996) Chem. Phys. Lett. , vol.259 , pp. 641
- Gianturco, F.A.¹ De Lara-Castells, P.² Schneider, F.³

11
- 0000522796
- M. Fieber, A.M. Ding, P.J. Kuntz, Z. Phys. D 23, 171 (1992).
- (1992) Z. Phys. D , vol.23 , pp. 171
- Fieber, M.¹ Ding, A.M.² Kuntz, P.J.³

12
- 0001672897
- F.Y. Naumkin, D.J. Wales, Mol. Phys. 93, 633 (1998).
- (1998) Mol. Phys. , vol.93 , pp. 633
- Naumkin, F.Y.¹ Wales, D.J.²

13
- 0001708227
- Mc Graw Hill, New York
- J.C. Slater, Self-Consistent-Fields for Atoms and Molecules (Mc Graw Hill, New York, 1987).
- (1987) Self-consistent-fields for Atoms and Molecules
- Slater, J.C.¹

14
- 0003685939
- Oxford U.P.
- N.M. March, Self-Consistent-Fields in Atoms (Oxford U.P., 1985).
- (1985) Self-consistent-fields in Atoms
- March, N.M.¹

15
- 35948974968
- D. Bohm, Phys. Rev. 85, 166 (1952).
- (1952) Phys. Rev. , vol.85 , pp. 166
- Bohm, D.¹

16
- 0042113153
- W. Kohn, L.J. Sham, Phys. Rev. A 140, 1133 (1965).
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

17
- 10644250257
- P.C. Hohenberg, W. Kohn, Phys. Rev. B 136, 864 (1964).
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.C.¹ Kohn, W.²

18
- 0000189651
- and references therein
- A.D. Becke, J. Chem. Phys. 98, 5648 (1993) and references therein.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

19
- 0003951147
- Springer Verlag, Berlin
- P. Gombas, Die Statistisches Theorie des Atoms und ihre Anvendungen (Springer Verlag, Berlin, 1949).
- (1949) Die Statistisches Theorie des Atoms und Ihre Anvendungen
- Gombas, P.¹

20
- 4243553426
- A.D. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

21
- 77956779984
- A.D. Becke, J. Chem. Phys. 96, 2155 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 2155
- Becke, A.D.¹

22
- 0001161681
- A.D. Becke, J. Chem. Phys. 97, 9173 (1992).
- (1992) J. Chem. Phys. , vol.97 , pp. 9173
- Becke, A.D.¹

23
- 84987103815
- J. Harris, Int. J. Quant. Chem. Symp. 13, 189 (1979).
- (1979) Int. J. Quant. Chem. Symp. , vol.13 , pp. 189
- Harris, J.¹

24
- 0002713895
- F.A. Gianturco, J.A. Rodriguez-Ruiz, J. Mol. Struct. Theochem. 260, 99 (1992).
- (1992) J. Mol. Struct. Theochem. , vol.260 , pp. 99
- Gianturco, F.A.¹ Rodriguez-Ruiz, J.A.²

25
- 0345491105
- C. Lee, W. Yang, 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

26
- 0001717197
- F.A. Gianturco, J.A. Rodriguez-Ruiz, Phys. Rev. A 47, 1075 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 1075
- Gianturco, F.A.¹ Rodriguez-Ruiz, J.A.²

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

28
- 5944261746
- J.P. Perdew, Phys. Rev. B 33, 8822 (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

29
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58, 1200 (1980).
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

30
- 33744582710
- D.H. Ceperley, Phys. Rev. B 18, 3126 (1990).
- (1990) Phys. Rev. B , vol.18 , pp. 3126
- Ceperley, D.H.¹

31
- 33645898818
- J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

32
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- GAUSSIAN 94 (Revision D.1), M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Fill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Anders, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
- (1995) GAUSSIAN 94 (Revision D.1)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Fill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

33
- 70349494600
- edited by J.L. Calais, E. Kryachko (Kluwer Acad. Publ.)
- F.A. Gianturco, F. Paesani, in Conceptual Perspectives in Quantum Chemistry, edited by J.L. Calais, E. Kryachko (Kluwer Acad. Publ., 1997), p. 337.
- (1997) Conceptual Perspectives in Quantum Chemistry , pp. 337
- Gianturco, F.A.¹ Paesani, F.²

34
- 0033475845
- F.A. Gianturco, F. Filippone, Chem. Phys. 241, 203 (1999).
- (1999) Chem. Phys. , vol.241 , pp. 203
- Gianturco, F.A.¹ Filippone, F.²

35
- 0001557410
- H. Haberland, Surf. Sci. 156, 305 (1985).
- (1985) Surf. Sci. , vol.156 , pp. 305
- Haberland, H.¹

36
- 4243703621
- J.J. Saeng, M. Soler, N. Garcia, Surf. Sci. 156, 120 (1985).
- (1985) Surf. Sci. , vol.156 , pp. 120
- Saeng, J.J.¹ Soler, M.² Garcia, N.³

37
- 0000416535
- I. Last, T.F. George, J. Chem. Phys. 93, 8925 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 8925
- Last, I.¹ George, T.F.²

38
- 0001802479
- J. Cizek, Adv. Chem. Phys. 14, 35 (1969).
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

39
- 0001802769
- H. Hogreve, Chem. Phys. Lett. 215, 72 (1993).
- (1993) Chem. Phys. Lett. , vol.215 , pp. 72
- Hogreve, H.¹

40
- 36749108446
- J.S. Cohen, B. Schneider, J. Chem. Phys. 61, 3240 (1974).
- (1974) J. Chem. Phys. , vol.61 , pp. 3240
- Cohen, J.S.¹ Schneider, B.²

41
- 0000035357
- R.S. Mulliken, J. Chem. Phys. 52, 5170 (1970).
- (1970) J. Chem. Phys. , vol.52 , pp. 5170
- Mulliken, R.S.¹

42
- 84943914342
- R.G. Keesee, A.W. Castleman, J. Phys. Chem. Ref. Data 15, 1011 (1986).
- (1986) J. Phys. Chem. Ref. Data , vol.15 , pp. 1011
- Keesee, R.G.¹ Castleman, A.W.²

43
- 0003394271
- H.-J. Werner, P.J. Knowles, J. Almlöf, R.D. Amos, S.T. Elbert, W. Meyer, E.-A. Reinsch, R.M. Pitzer, A.J. Stone, P.R. Taylor, Molpro, a package of ab initio programs.
- Molpro, a Package of Ab Initio Programs
- Werner, H.-J.¹ Knowles, P.J.² Almlöf, J.³ Amos, R.D.⁴ Elbert, S.T.⁵ Meyer, W.⁶ Reinsch, E.-A.⁷ Pitzer, R.M.⁸ Stone, A.J.⁹ Taylor, P.R.¹⁰

44
- 0031570153
- E. Buonomo, M.P. De Lara, S. Miret-Artés, G. Delgado-Barrio, F.A. Gianturco, P. Villarreal, Chem. Phys. 218, 71 (1997).
- (1997) Chem. Phys. , vol.218 , pp. 71
- Buonomo, E.¹ De Lara, M.P.² Miret-Artés, S.³ Delgado-Barrio, G.⁴ Gianturco, F.A.⁵ Villarreal, P.⁶

45
- 0001868723
- F.A. Gianturco, M.P. De Lara-Castells, F. Schneider, J. Chem. Phys. 106, 7586 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 7586
- Gianturco, F.A.¹ De Lara-Castells, M.P.² Schneider, F.³

46
- 21644432491
- F.X. Gadea, M. Amarouche, Chem. Phys. 140, 385 (1990).
- (1990) Chem. Phys. , vol.140 , pp. 385
- Gadea, F.X.¹ Amarouche, M.²

47
- 36448998778
- T. Ikegami, T. Kondow, S. Iwata, J. Chem. Phys. 99, 3588 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 3588
- Ikegami, T.¹ Kondow, T.² Iwata, S.³

48
- 0011512427
- E.g. see H. Haberland, T. Kolar, C. Ludewigt, A. Risch, M. Scmidt, Z. Phys. D 20, 33 (1991).
- (1991) Z. Phys. D , vol.20 , pp. 33
- Haberland, H.¹ Kolar, T.² Ludewigt, C.³ Risch, A.⁴ Scmidt, M.⁵

49
- 0000368677
- E.g. see K. Hiraoka, T. Mori, J. Chem. Phys. 92, 4408 (1990).
- (1990) J. Chem. Phys. , vol.92 , pp. 4408
- Hiraoka, K.¹ Mori, T.²

50
- 36749113855
- W.R. Wadt, Appl. Phys. Lett. 38, 1030 (1981).
- (1981) Appl. Phys. Lett. , vol.38 , pp. 1030
- Wadt, W.R.¹

51
- 5544303354
- F.Y. Naumkin, P.J. Knowles, J.N. Murrell, Chem. Phys. 193, 27 (1995).
- (1995) Chem. Phys. , vol.193 , pp. 27
- Naumkin, F.Y.¹ Knowles, P.J.² Murrell, J.N.³

52
- 0000560869
- D.J. Wales, J.P.K. Doye, J. Phys. Chem. A 101, 5111 (1997).
- (1997) J. Phys. Chem. A , vol.101 , pp. 5111
- Wales, D.J.¹ Doye, J.P.K.²

53
- 0003568278
- edited by H.F. Schaefer (Plenum, New York)
- T.H. Dunning, P.J. Hay, Modern Theoretical Chemistry, edited by H.F. Schaefer (Plenum, New York, 1979), Vol. III.
- (1979) Modern Theoretical Chemistry , vol.3
- Dunning, T.H.¹ Hay, P.J.²

54
- 0001959061
- in preparation
- F.A. Gianturco, F. Sebastianelli, in preparation.
- Gianturco, F.A.¹ Sebastianelli, F.²

55
- 0038060447
- U. Kleinekathofer, K.T. Tang, J.P. Toennies, C.L. Yiu, J. chem. Phys. 107, 9502 (1997).
- (1997) J. Chem. Phys. , vol.107 , pp. 9502
- Kleinekathofer, U.¹ Tang, K.T.² Toennies, J.P.³ Yiu, C.L.⁴

56
- 0032355325
- F.A. Gianturco, F. Filippone, Europhys. Lett. 44, 585 (1998).
- (1998) Europhys. Lett. , vol.44 , pp. 585
- Gianturco, F.A.¹ Filippone, F.²

57
- 35949017326
- E.g. see I.F. Silvera, Rev. Mod. Phys. 52, 393 (1980).
- (1980) Rev. Mod. Phys. , vol.52 , pp. 393
- Silvera, I.F.¹

58
- 0004097511
- in press
- B. Balta, F.A. Gianturco, F. Paesani, Chem. Phys. (in press, 2000).
- (2000) Chem. Phys.
- Balta, B.¹ Gianturco, F.A.² Paesani, F.³

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