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Journal of Chemical Physics

Volumn 115, Issue 19, 2001, Pages 8748-8757

Towards extending the applicability of density functional theory to weakly bound systems

(3) Wu, X a Vargas, M C a Nayak, S a

a UNIVERSITY OF TEXAS AT ARLINGTON (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; BENZENE; CALCULATIONS; CORRELATION METHODS; MOLECULES; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION; STRENGTH OF MATERIALS;

MULTIPOLAR EXPANSION; WEAKLY BOUND SYSTEM;

PHYSICAL CHEMISTRY;

EID: 0035891306 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412004 Document Type: Article

Times cited : (646)

References (93)

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

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

3
- 0003569570
- (Oxford University Press, New York)
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

4
- 0030218597
- (1996) J. Phys. Chem. , vol.100 , pp. 12974
- Kohn, W.¹ Becke, A.D.² Parr, R.G.³

5
- 51149210200
- (1989) Rev. Mod. Phys. , vol.61 , pp. 689
- Jones, R.O.¹ Gunnarsson, O.²

6
- 37549004997
- (1994) Chem. Phys. Lett. , vol.229 , pp. 175
- Kristyán, S.¹ Pulay, P.²

7
- 4243476736
- (1995) Chem. Phys. Lett. , vol.233 , pp. 134
- Pérez-Jordá, J.M.¹ Becke, A.D.²

8
- 84986461296
- (1995) J. Comput. Chem. , vol.16 , pp. 1315
- Hobza, P.¹ Sponer, J.² Reschel, T.³

9
- 0001684777
- (1997) J. Chem. Phys. , vol.107 , pp. 7921
- Zhang, Y.¹ Pan, W.² Yang, W.³

10
- 0000128817
- (1997) Phys. Rev. A , vol.56 , pp. R2495
- Patton, D.C.¹ Pederson, M.R.²

11
- 0038398783
- (1999) J. Chem. Phys. , vol.110 , pp. 1916
- Pérez-Jordá, J.M.¹ San-Fabián, E.² Pérez-Jiménez, A.J.³

12
- 0035281210
- (2001) J. Chem. Phys. , vol.114 , pp. 3949
- Tsuzuki, S.¹ Lüthi, H.P.²

13
- 0000228030
- (1999) J. Chem. Phys. , vol.111 , pp. 7727
- Milet, A.¹ Korona, T.² Moszynski, R.³ Kochanski, E.⁴

14
- 0001651753
- (2000) J. Chem. Phys. , vol.113 , pp. 1666
- Wesolouski, T.A.¹

15
- 0000657451
- (1975) Chem. Phys. Lett. , vol.36 , pp. 451
- Hepburn, J.¹ Penco, R.² Scoles, G.³

16
- 0001373611
- (1977) Chem. Phys. , vol.19 , pp. 119
- Ahlrichs, R.¹ Penco, R.² Scoles, G.³

17
- 0000422714
- (1982) J. Phys. Chem. , vol.86 , pp. 1053
- Rodwell, W.R.¹ Scoles, G.²

18
- 10844275014
- (1982) J. Chem. Phys. , vol.76 , pp. 3057
- Douketis, C.¹ Scoles, G.² Marchetti, S.³ Zen, M.⁴ Thakkar, A.J.⁵

19
- 36749105036
- (1977) J. Chem. Phys. , vol.66 , pp. 1496
- Tang, K.T.¹ Toennies, J.P.²

20
- 36749112623
- (1978) J. Chem. Phys. , vol.68 , pp. 5501
- Tang, K.T.¹ Toennies, J.P.²

21
- 0001109503
- (1997) J. Chem. Phys. , vol.106 , pp. 9647
- Varandas, A.J.C.¹ Rodriquez, S.P.J.²

22
- 0000379288
- (1969) J. Chem. Phys. , vol.50 , pp. 2289
- Kreek, H.¹ Meath, W.J.²

23
- 84947354887
- and references therein
- (1993) Mol. Phys. , vol.80 , pp. 25
- Wheatley, R.J.¹ Meath, W.J.²

24
- 0000768931
- (2001) J. Chem. Phys. , vol.112 , pp. 5751
- Higgins, J.¹ Hollebeek, T.² Reho, J.³ Ho, T.S.⁴ Lehmann, K.K.⁵ Lehmann, H.⁶ Rabitz, H.⁷ Scoles, G.⁸ Gutowski, M.⁹

25
- 0006762178
- edited by P. Jena (World Scientific, Singapore)
- (2001) Cluster and Nanostructure Interfaces , pp. 345
- Sin, J.M.¹ Nayak, S.² Scoles, G.³

26
- 10844235866
- (1996) J. Chem. Phys. , vol.105 , pp. 8684
- Meijer, E.J.¹ Sprik, M.²

27
- 0001648299
- (2000) Chem. Phys. Lett. , vol.331 , pp. 339
- Serra, S.¹ Iarlori, S.² Tosatti, E.³ Scandolo, S.⁴ Santoro, G.⁵

28
- 0035932162
- and references therein
- (2001) J. Chem. Phys. , vol.114 , pp. 5149
- Elsner, M.¹ Hobza, P.² Frauenheim, T.³ Suhai, S.⁴ Kaxiras, E.⁵

29
- 0037869982
- (2000) Annu. Rev. Phys. Chem. , vol.51 , pp. 501
- Lüchow, A.¹ Anderson, J.B.²

30
- 4243606192
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

31
- 0142057630
- (1999) J. Chem. Phys. , vol.111 , pp. 3572
- Silvestrelli, P.L.¹ Parinello, M.²

32
- 18344379950
- (1999) Phys. Rev. Lett. , vol.82 , pp. 3308
- Silvestrelli, P.L.¹ Parinello, M.²

33
- 0031055530
- (1997) Science , vol.275 , pp. 1288
- Ancilotto, F.¹ Chiarotti, G.L.² Scandolo, S.³ Tosatti, E.⁴

34
- 36849132554
- note
- (1943) J. Chem. Phys. , vol.11 , pp. 299
- Axilrod, B.¹ Teller, E.²

35
- 0000583831
- while it is the description of many-body effects at the exchange level which presents real diffusivities
- (1943) Proc. Phys. Math. Soc. Jpn. , vol.17 , pp. 629
- Muto, Y.¹

36
- 0031162549
- and Ref. 21(a)
- (1997) J. Chem. Phys. , vol.106 , pp. 9668
- Lotrich, V.¹ Szalewicz, K.²

37
- 0000268103
- (1999) J. Chem. Phys. , vol.110 , pp. 7832
- Gianturco, F.A.¹ Paesani, F.² Laranjeira, M.F.³ Vassilenko, V.⁴ Cunha, M.A.⁵

38
- 0001568133
- (1998) Mol. Phys. , vol.94 , pp. 605
- Gianturco, F.A.¹ Paesani, F.² Laranjeira, M.F.³ Vassilenko, V.⁴ Cunha, M.A.⁵ Shashkov, A.G.⁶ Zolotoukhina, F.⁷

39
- 0041946098
- (1998) J. Chem. Phys. , vol.108 , pp. 6078
- Wesolowski, T.A.¹ Ellinger, Y.² Weber, J.³

40
- 85001521872
- (preprint)
- (2001)
- Tran, F.¹ Weber, J.² Wesolowski, T.A.³

41
- 34047262363
- (1991) Phys. Rev. B , vol.44 , pp. 8454
- Cortona, P.¹

42
- 33751157160
- (1993) J. Phys. Chem. , vol.98 , pp. 5183
- Wesolowski, T.A.¹ Warshel, A.²

43
- 0000790755
- (1998) Phys. Rev. Lett. , vol.80 , pp. 4153
- Kohn, W.¹ Meir, Y.² Makarov, D.E.³

44
- 5844302556
- (1995) Phys. Rev. Lett. , vol.76 , pp. 102
- Andersson, Y.¹ Langreth, D.C.² Lundqvist, B.I.³

45
- 0001633566
- (1996) Phys. Rev. Lett. , vol.77 , pp. 2029
- Hult, E.¹ Andersson, Y.² Lundqvist, B.I.³ Langreth, D.C.⁴

46
- 0001125626
- (1997) J. Chem. Phys. , vol.107 , pp. 4207
- Mas, E.M.¹ Szalewicz, K.² Bulowski, R.³ Jeziorski, B.⁴

47
- 0000098578
- (1999) J. Chem. Phys. , vol.111 , pp. 9157
- Halkier, A.¹ Klopper, W.² Helgaker, T.³ Jorgensen, P.⁴ Taylor, P.R.⁵

48
- 0343897781
- (1999) Mol. Phys. , vol.96 , pp. 559
- Klopper, W.¹ Lüthi, H.P.²

49
- 0001312393
- (1994) Chem. Rev. , vol.94 , pp. 1887
- Jeziorski, B.¹ Moszynski, R.² Szalewicz, K.³

50
- 0002592163
- edited by S. Scheiner (Wiley, New York)
- (1997) Molecular Interactions-From Van der Waals to Strongly Bound Complexes , pp. 3
- Szalewicz, K.¹ Jeziorski, B.²

51
- 33744584128
- (1986) Mol. Phys. , vol.58 , pp. 679
- Aziz, R.A.¹ Slaman, M.J.²

52
- 36449008654
- (1993) J. Chem. Phys. , vol.99 , pp. 4518
- Aziz, R.A.¹

53
- 0003777714
- D. R. Lide (editor-in-Chief)
- (1999) CRC Handbook of Chemistry and Physics, 79th Ed.

54
- 0001259722
- (1999) Phys. Scr. , vol.60 , pp. 211
- Anderson, Y.¹ Rydberg, H.²

55
- 85001600957
- note

56
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

57
- 0003662632
- Gaussian, Inc., Pittsburgh, PA
- (1998) Gaussian 98, Revision A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

58
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

59
- 85001600942
- (1992) Phys. Rev. B , vol.45 , pp. 12244
- Perdew, J.P.¹ Wang, Y.²

60
- 23244460838
- (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

61
- 4243943295
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, S.² Ernzerhof, M.³

62
- 77956779984
- (1992) J. Chem. Phys. , vol.96 , pp. 2155
- Becke, A.D.¹

63
- 0001161681
- (1992) J. Chem. Phys. , vol.97 , pp. 9173
- Becke, A.D.¹

64
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

65
- 85001772147
- (1998) J. Chem. Phys. , vol.108-110
- Adamo, C.¹ Barone, V.²

66
- 85001565006
- note

67
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

68
- 0001450702
- (1993) Phys. Rev. A , vol.47 , pp. 4681
- Lacks, D.J.¹ Gordon, R.G.²

69
- 0346189340
- (2000) J. Chem. Phys. , vol.112 , pp. 1670
- Boese, A.D.¹ Doltsinis, N.L.² Handy, N.C.³ Sprik, M.⁴

70
- 85001528851
- (1994) J. Chem. Phys. , vol.100-102
- Xantheas, S.S.¹

71
- 0347400933
- (1993) J. Chem. Phys. , vol.99 , pp. 8774
- Xantheas, S.S.¹ Dunning, H.²

72
- 0003882080
- edited by F. Franks (Plenum, New York)
- (1972) Water, a Comprehensive Treatise

73
- 0034295241
- (2000) J. Chem. Phys. , vol.113 , pp. 6687
- Mas, E.M.¹ Bukowski, R.² Szalewicz, K.³ Groenenboom, G.C.⁴ Wormer, P.E.S.⁵ Van Der Avoird, A.⁶

74
- 0037721149
- (1996) J. Phys. Chem. , vol.100 , pp. 18790
- Hobza, P.¹ Selzle, H.L.² Schlag, E.W.³

75
- 36448998653
- (1994) J. Chem. Phys. , vol.100 , pp. 1215
- Baushlicher, C.W.¹

76
- 0004621259
- (1995) J. Chem. Phys. , vol.103 , pp. 10605
- Adamo, C.¹ Lelj, F.²

77
- 0011640932
- (1999) J. Chem. Phys. , vol.111 , pp. 4548
- Zhou, M.¹ Andrews, I.²

78
- 0001475454
- (1999) J. Chem. Phys. , vol.110 , pp. 6158
- Adamo, C.¹ Barone, V.²

79
- 0006763217
- (1998) J. Mol. Struct.: THEOCHEM , vol.179 , pp. 407
- Berthier, G.¹ Daoudi, A.² Suard, M.³

80
- 0003919078
- (Van Nostrand, Toronto)
- (1979) Molecular Spectra and Molecular Structure
- Huber, K.P.¹ Herzberg, G.²

81
- 33847800729
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 2097
- Huber, H.¹ Kunding, E.P.² Moskovits, M.³ Ozin, G.A.⁴

82
- 0031559102
- (1997) J. Chem. Phys. , vol.106 , pp. 2118
- Tanaka, K.¹ Sakaguchi, K.² Tanaka, T.³

83
- 0007887728
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 2788
- Sunderlin, L.S.¹ Wang, D.² Squires, R.R.³

84
- 0000834077
- (1993) J. Chem. Phys. , vol.98 , pp. 7730
- Villalta, P.W.¹ Leopold, D.G.²

85
- 0000855812
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3211
- Teung, G.-H.¹

86
- 0031588846
- (1997) Chem. Phys. Lett. , vol.267 , pp. 573
- Trushin, S.A.¹ Sugawara, K.² Takeo, H.³

87
- 0001455687
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 7104
- Bach, S.B.H.¹ Taylor, C.A.² Van Zee, R.J.³ Vala, M.T.⁴ Weltner, W.⁵

88
- 0001759962
- (1975) Prog. Inorg. Chem. , vol.19 , pp. 105
- Ozin, G.A.¹ Van Der Voet, A.²

89
- 0037889247
- (1999) J. Chem. Phys. , vol.110 , pp. 2785
- Gorling, A.¹ Heinze, H.H.² Ruzankin, S.P.³ Staufer, M.⁴ Rosch, N.⁵

90
- 0032558951
- (1998) J. Chem. Phys. , vol.109 , pp. 10657
- Van Gisbergen, S.J.A.¹ Snijders, J.G.² Baerends, E.J.³

91
- 0001262456
- (1997) J. Chem. Phys. , vol.106 , pp. 5091
- Osinga, V.P.¹ Van Gisbergen, S.J.A.² Snijders, J.G.³ Baerends, E.J.⁴

92
- 0001259722
- (1999) Phys. Scr. , vol.60 , pp. 211
- Andersson, Y.¹ Rydberg, H.²

93
- 0001741919
- (1999) J. Chem. Phys. , vol.111 , pp. 2878
- Aiga, F.¹ Tada, T.² Yoshimura, R.³

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