-
2
-
-
85033188849
-
-
private communication
-
L. A. Bloomfield, private communication.
-
-
-
Bloomfield, L.A.1
-
4
-
-
0001606178
-
-
E. A. Rohlfing, D. M. Cox, A. Kaldor, and K. H. Johnson, J. Chem. Phys. 81, 3846 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3846
-
-
Rohlfing, E.A.1
Cox, D.M.2
Kaldor, A.3
Johnson, K.H.4
-
6
-
-
36549098863
-
-
E. K. Parks, B. H. Weiller, P. S. Bechthold, W. F. Hoffman, G. C. Neiman, L. G. Pobo, and S. J. Riley, J. Chem. Phys. 88, 1622 (1988).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1622
-
-
Parks, E.K.1
Weiller, B.H.2
Bechthold, P.S.3
Hoffman, W.F.4
Neiman, G.C.5
Pobo, L.G.6
Riley, S.J.7
-
7
-
-
0000029258
-
-
(a) T. Noro, C. Ballard, M. H. Palmer, and H. Tatewaki, J. Chem. Phys. 100, 452 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 452
-
-
Noro, T.1
Ballard, C.2
Palmer, M.H.3
Tatewaki, H.4
-
9
-
-
0003442182
-
-
J. Labanowski and J. Andzelm, Eds. Springer, New York
-
D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St.-Amant, and J. Ushio, in Density Functional Methods in Chemistry, J. Labanowski and J. Andzelm, Eds. (Springer, New York, 1991).
-
(1991)
Density Functional Methods in Chemistry
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarski, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
11
-
-
0000276605
-
-
J. L. Chen, C. S. Wang, K. A. Jackson, and M. A. Pederson, Phys. Rev. B 44, 6558 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 6558
-
-
Chen, J.L.1
Wang, C.S.2
Jackson, K.A.3
Pederson, M.A.4
-
15
-
-
5944261746
-
-
J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid., Phys. Rev. B 34, 7406E (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
16
-
-
4043083704
-
-
Ibid.
-
J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid., Phys. Rev. B 34, 7406E (1986).
-
(1986)
Phys. Rev. B
, vol.34
-
-
-
25
-
-
0001075346
-
-
(b) H. Purdum, P. A. Montano, G. K. Shenoy, and T. Morrison, Phys. Rev. B 25, 4412 (1982).
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4412
-
-
Purdum, H.1
Montano, P.A.2
Shenoy, G.K.3
Morrison, T.4
-
27
-
-
0003464990
-
-
Addison-Wesley, New York
-
UniChem is a commercial computational package available from Cray Research. For details, see J. E. Bowie, Ed., Data Visualization in Molecular Science (Addison-Wesley, New York, 1995).
-
(1995)
Data Visualization in Molecular Science
-
-
Bowie, J.E.1
-
28
-
-
0003442182
-
-
J. Labanowski and J. W. Andzelm, Eds. Springer-Verlag, New York
-
J. Andzelm, in Density Functional Methods in Chemistry, J. Labanowski and J. W. Andzelm, Eds. (Springer-Verlag, New York, 1991).
-
(1991)
Density Functional Methods in Chemistry
-
-
Andzelm, J.1
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