-
3
-
-
0001415501
-
-
I. Boustani, W. Pewestorf, P. Fantucci, V. Bonačić-Koutecký, and J. Koutecky, Phys. Rev. B 35, 9437 (1987).
-
(1987)
Phys. Rev. B
, vol.35
, pp. 9437
-
-
Boustani, I.1
Pewestorf, W.2
Fantucci, P.3
Bonačić-Koutecký, V.4
Koutecky, J.5
-
5
-
-
0039966151
-
-
V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký, Chem. Rev. (Washington, D.C.) 91, 1035 (1991).
-
(1991)
Chem. Rev. (Washington, D.C.)
, vol.91
, pp. 1035
-
-
Bonačić-Koutecký, V.1
Fantucci, P.2
Koutecký, J.3
-
6
-
-
0001760563
-
-
C. Bréchignac, H. Busch, P. Cahuzac, and J. Leygnier, J. Chem. Phys. 101, 6992 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6992
-
-
Bréchignac, C.1
Busch, H.2
Cahuzac, P.3
Leygnier, J.4
-
9
-
-
0000134901
-
-
V. Bonačić-Koutecký, J. Gaus, M. F. Guest, L. Cešpiva, P. Fantucci, and J. Koutecký, Chem. Phys. Lett. 206, 528 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.206
, pp. 528
-
-
Bonačić-Koutecký, V.1
Gaus, J.2
Guest, M.F.3
Cešpiva, L.4
Fantucci, P.5
Koutecký, J.6
-
10
-
-
18744370861
-
-
B. Vezin, P. Dugourd, C. Bordas, D. Rayane, M. Broyer, V. Bonačić-Koutecký, J. Pittner, C. Fuchs, J. Gaus, and J. Koutecký, J. Chem. Phys. 102, 2727 (1994).
-
(1994)
J. Chem. Phys.
, vol.102
, pp. 2727
-
-
Vezin, B.1
Dugourd, P.2
Bordas, C.3
Rayane, D.4
Broyer, M.5
Bonačić-Koutecký, V.6
Pittner, J.7
Fuchs, C.8
Gaus, J.9
Koutecký, J.10
-
13
-
-
0003622719
-
-
Kluwer Academic, New York
-
P. Jena, S. N. Khanna, and B. K. Rao, Density Functional Theory of Molecules, Clusters, and Solids (Kluwer Academic, New York, 1995).
-
(1995)
Density Functional Theory of Molecules, Clusters, and Solids
-
-
Jena, P.1
Khanna, S.N.2
Rao, B.K.3
-
21
-
-
1842601083
-
-
private communication
-
C. H. Wu (private communication).
-
-
-
Wu, C.H.1
-
23
-
-
0034321029
-
-
M. Keil, H. G. Krämer, A. Kudell, M. A. Baig, J. Zhu, W. Demtröder, and W. Meyer, J. Chem. Phys. 113, 7414 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7414
-
-
Keil, M.1
Krämer, H.G.2
Kudell, A.3
Baig, M.A.4
Zhu, J.5
Demtröder, W.6
Meyer, W.7
-
24
-
-
0035828057
-
-
W. Meyer, M. Keil, A. Kudell, M. A. Baig, J. Zhu, and W. Demtröder, J. Chem. Phys. 115, 2590 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2590
-
-
Meyer, W.1
Keil, M.2
Kudell, A.3
Baig, M.A.4
Zhu, J.5
Demtröder, W.6
-
25
-
-
0001127840
-
-
H. G. Krämer, M. Keil, C. B. Suarez, W. Demtröder, and W. Meyer, Chem. Phys. Lett. 299, 212 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 212
-
-
Krämer, H.G.1
Keil, M.2
Suarez, C.B.3
Demtröder, W.4
Meyer, W.5
-
28
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
29
-
-
45149135930
-
-
R. J. Bartlett, J. D. Watts, S. A. Kucharsju, and J. Noga, Chem. Phys. Lett. 165, 513 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.165
, pp. 513
-
-
Bartlett, R.J.1
Watts, J.D.2
Kucharsju, S.A.3
Noga, J.4
-
30
-
-
85045822333
-
-
R. I. Bartlett, J. D. Watts, S. A. Kucharsju, and J. Noga, Chem. Phys. Lett. 167, 609 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.167
, pp. 609
-
-
Bartlett, R.I.1
Watts, J.D.2
Kucharsju, S.A.3
Noga, J.4
-
31
-
-
0000830037
-
-
J. Gauss, W. J. Lauderdale, J. F. Stanton, J. D. Watts, and R. J. Bartlett, Chem. Phys. Lett. 182, 207 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.182
, pp. 207
-
-
Gauss, J.1
Lauderdale, W.J.2
Stanton, J.F.3
Watts, J.D.4
Bartlett, R.J.5
-
34
-
-
1842548776
-
-
private communication
-
K. A. Peterson (private communication).
-
-
-
Peterson, K.A.1
-
35
-
-
1842496575
-
-
note
-
ACES II, J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
-
-
-
-
37
-
-
0009748289
-
-
P. Dugourd, J. Chevaleyre, M. Broyer, J. Wolf, and L. Woste, Chem. Phys. Lett. 175, 555 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.175
, pp. 555
-
-
Dugourd, P.1
Chevaleyre, J.2
Broyer, M.3
Wolf, J.4
Woste, L.5
-
39
-
-
84862056410
-
-
CCSD(T)/cc-pwCVDZ bond lengths were 3.018 and 2.679 Å
-
CCSD(T)/cc-pwCVDZ bond lengths were 3.018 and 2.679 Å.
-
-
-
-
40
-
-
0001387192
-
-
P. Dugourd, D. Rayane, P. Labastie, B. Vezin, J. Chevaleyre, and M. Broyer, Chem. Phys. Lett. 197, 433 (1992).
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 433
-
-
Dugourd, P.1
Rayane, D.2
Labastie, P.3
Vezin, B.4
Chevaleyre, J.5
Broyer, M.6
-
41
-
-
0011714847
-
-
W. D. Knight, K. Clemenger, W. deHeer, M. Y. Chou, and M. L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 2141
-
-
Knight, W.D.1
Clemenger, K.2
Deheer, W.3
Chou, M.Y.4
Cohen, M.L.5
-
43
-
-
0037651142
-
-
A. Matveentsev, A. Lyalin, I. A. Solovýov, A. V. Solovýov, and W. Greiner, Int. J. Mod. Phys. E 12, 81 (2003).
-
(2003)
Int. J. Mod. Phys. E
, vol.12
, pp. 81
-
-
Matveentsev, A.1
Lyalin, A.2
Solovýov, I.A.3
Solovýov, A.V.4
Greiner, W.5
-
44
-
-
0001415501
-
-
see Fig. 13
-
44 I. Boustani, W. Pewestorf, P. Fantucci, V. Bonačić-Koutecký, and J. Koutecký, Phys. Rev. B 35, 9437 (1987), see Fig. 13.
-
(1987)
Phys. Rev. B
, vol.35
, pp. 9437
-
-
Boustani, I.1
Pewestorf, W.2
Fantucci, P.3
Bonačić-Koutecký, V.4
Koutecký, J.5
-
45
-
-
1842548777
-
-
note
-
n with increasing cluster size for some functionals but yield an energy ordering analogous to the CI scaled results for other functionals (Refs. 14 and 15).
-
-
-
-
46
-
-
84862056411
-
-
4H
-
4H.
-
-
-
-
47
-
-
0011499850
-
-
B. Vezin, P. Dugourd, D. Rayane, P. Labastie, and M. Broyer, Chem. Phys. Lett. 202, 209 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.202
, pp. 209
-
-
Vezin, B.1
Dugourd, P.2
Rayane, D.3
Labastie, P.4
Broyer, M.5
|