-
9
-
-
84970082432
-
-
S. Sorella, S. Baroni, R. Car and M. Parrinello, Europhys. Lett. 8, 663 (1989).
-
(1989)
Europhys. Lett.
, vol.8
, pp. 663
-
-
Sorella, S.1
Baroni, S.2
Car, R.3
Parrinello, M.4
-
10
-
-
25044438103
-
-
S. R. White, D. J. Scalapino, R. L. Sugar, E. Y. Loj, Jr., J. E. Gubernatis, and R. T. Scalettar, Phys. Rev. B 40, 506 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 506
-
-
White, S.R.1
Scalapino, D.J.2
Sugar, R.L.3
Loj Jr., E.Y.4
Gubernatis, J.E.5
Scalettar, R.T.6
-
13
-
-
4243211746
-
-
Y. Alhassid, D. J. Dean, S. E. Koonin, G. Lang, and W. E. Ormand, Phys. Rev. Lett. 72, 613 (1994).
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 613
-
-
Alhassid, Y.1
Dean, D.J.2
Koonin, S.E.3
Lang, G.4
Ormand, W.E.5
-
17
-
-
21544484274
-
-
2 simulations we use the GVB-PP density-matrix, which, especially for extended-bond length, is much closer to the true density and is therefore a better shift. See also (to be submitted)
-
2 simulations we use the GVB-PP density-matrix, which, especially for extended-bond length, is much closer to the true density and is therefore a better shift. See also Baer, Head-Gordon, and Neuhauser (to be submitted).
-
-
-
Baer1
Head-Gordon2
Neuhauser3
-
18
-
-
49149090180
-
-
B. O. Roos, K. Andersson, M. P. Fulscher, P.-Å. Malmqvist and L. Serrano-Andres, Adv. Chem. Phys. XCIII, 219 (1996).
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 219
-
-
Roos, B.O.1
Andersson, K.2
Fulscher, M.P.3
Malmqvist, P.-Å.4
Serrano-Andres, L.5
-
20
-
-
33645912838
-
-
K. Andersson, B. O. Roos, P.-Å. Malmqvist, and P.-O. Widmark, Chem. Phys. Lett. 230, 391 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 391
-
-
Andersson, K.1
Roos, B.O.2
Malmqvist, P.-Å.3
Widmark, P.-O.4
-
22
-
-
0006012068
-
-
S. M. Casey, P. W. Villalta, A. A. Bengali, C. L. Cheng, J. P. Dick, P. T. Fenn, and D. G. Leopold, J. Am. Chem. Soc. 113, 6688 (1991).
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 6688
-
-
Casey, S.M.1
Villalta, P.W.2
Bengali, A.A.3
Cheng, C.L.4
Dick, J.P.5
Fenn, P.T.6
Leopold, D.G.7
-
29
-
-
0002904908
-
The self-consistent field equations for generalized valence bond and open-shell Hartree-Fock wave functions
-
in edited by H. F. Schaefer III Plenum, New York
-
F. W. Bobrowicz and W. A. Goddard III, " The self-consistent field equations for generalized valence bond and open-shell Hartree-Fock wave functions", in Modern Theoretical Chemistry: Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977).
-
(1977)
Modern Theoretical Chemistry: Methods of Electronic Structure Theory
-
-
Bobrowicz, F.W.1
Goddard III, W.A.2
-
49
-
-
21544438145
-
-
in preparation
-
D. Neuhauser (in preparation).
-
-
-
Neuhauser, D.1
-
51
-
-
0000566681
-
-
P. J. Reynolds, B. J. Alder, D. M. Ceperley, and W. A. Lester, J. Chem. Phys. 77, 5593 (1982).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 5593
-
-
Reynolds, P.J.1
Alder, B.J.2
Ceperley, D.M.3
Lester, W.A.4
-
54
-
-
0000025761
-
-
N. Govind, Y. A. Wang, A. J. R. da Silva, and E. A. Carter, Chem. Phys. Lett. 295, 129 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.295
, pp. 129
-
-
Govind, N.1
Wang, Y.A.2
Da Silva, A.J.R.3
Carter, E.A.4
-
56
-
-
0004161838
-
-
Cambridge University Press, New York
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and P. P. Flannery, Numerical Recipes (Cambridge University Press, New York, 1992).
-
(1992)
Numerical Recipes
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, P.P.4
-
58
-
-
0001040712
-
-
J. W. Pang, T. Dieckmann, J. Feigon, and D. Neuhauser, J. Chem. Phys. 108, 8360 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8360
-
-
Pang, J.W.1
Dieckmann, T.2
Feigon, J.3
Neuhauser, D.4
-
60
-
-
0031578416
-
-
E. Narevicius, D. Neuhauser, H. J. Korsch, and N. Moiseyev, Chem. Phys. Lett. 276, 250 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.276
, pp. 250
-
-
Narevicius, E.1
Neuhauser, D.2
Korsch, H.J.3
Moiseyev, N.4
|