-
2
-
-
0001225170
-
-
10.1103/PhysRevA.53.2211
-
S. B. Liu and R. G. Parr, Phys. Rev. A 53, 2211 (1996). 10.1103/PhysRevA.53.2211
-
(1996)
Phys. Rev. A
, vol.53
, pp. 2211
-
-
Liu, S.B.1
Parr, R.G.2
-
4
-
-
0001132752
-
-
10.1103/PhysRevLett.49.1691
-
J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz Jr., Phys. Rev. Lett. 49, 1691 (1982). 10.1103/PhysRevLett.49.1691
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz Jr., J.L.4
-
5
-
-
0005547850
-
-
10.1103/PhysRevA.58.3524
-
D. J. Tozer, Phys. Rev. A 58, 3524 (1998). 10.1103/PhysRevA.58.3524
-
(1998)
Phys. Rev. A
, vol.58
, pp. 3524
-
-
Tozer, D.J.1
-
6
-
-
0031592925
-
-
10.1016/S0009-2614(97)01092-0
-
S. B. Liu and R. G. Parr, Chem. Phys. Lett. 278, 341 (1997). 10.1016/S0009-2614(97)01092-0
-
(1997)
Chem. Phys. Lett.
, vol.278
, pp. 341
-
-
Liu, S.B.1
Parr, R.G.2
-
9
-
-
0000225413
-
-
10.1103/PhysRevA.55.1792
-
S. Liu and R. G. Parr, Phys. Rev. A 55, 1792 (1997). 10.1103/PhysRevA.55. 1792
-
(1997)
Phys. Rev. A
, vol.55
, pp. 1792
-
-
Liu, S.1
Parr, R.G.2
-
10
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, 1133 (1965). 10.1103/PhysRev.140. A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
12
-
-
0000970358
-
-
10.1103/PhysRevA.51.3564
-
R. G. Parr and S. K. Ghosh, Phys. Rev. A 51, 3564 (1995). 10.1103/PhysRevA.51.3564
-
(1995)
Phys. Rev. A
, vol.51
, pp. 3564
-
-
Parr, R.G.1
Ghosh, S.K.2
-
15
-
-
18144420853
-
Exact time-dependent exchange-correlation potentials for strong-field electron dynamics
-
DOI 10.1103/PhysRevLett.94.143003, 143003
-
M. Lein and S. Kmmel, Phys. Rev. Lett. 94, 143003 (2005). 10.1103/PhysRevLett.94.143003 (Pubitemid 40620413)
-
(2005)
Physical Review Letters
, vol.94
, Issue.14
, pp. 1-4
-
-
Lein, M.1
Kummel, S.2
-
16
-
-
0000058492
-
-
10.1103/PhysRevB.18.7165
-
J. F. Janak, Phys. Rev. B 18, 7165 (1978). 10.1103/PhysRevB.18.7165
-
(1978)
Phys. Rev. B
, vol.18
, pp. 7165
-
-
Janak, J.F.1
-
17
-
-
4243209020
-
-
10.1103/PhysRevLett.51.1888
-
L. J. Sham and M. Schlter, Phys. Rev. Lett. 51, 1888 (1983). 10.1103/PhysRevLett.51.1888
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1888
-
-
Sham, L.J.1
Schlter, M.2
-
18
-
-
79251570907
-
-
10.1039/c0cp01785j
-
C. Cardenas, P. Ayers, F. De Proft, D. J. Tozer, and P. Geerlings, Phys. Chem. Chem. Phys. 13, 2285 (2011). 10.1039/c0cp01785j
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 2285
-
-
Cardenas, C.1
Ayers, P.2
De Proft, F.3
Tozer, D.J.4
Geerlings, P.5
-
20
-
-
26744451909
-
-
10.1103/PhysRevA.51.1980
-
R. C. Morrison and Q. Zhao, Phys. Rev. A 51, 1980 (1995). 10.1103/PhysRevA.51.1980
-
(1995)
Phys. Rev. A
, vol.51
, pp. 1980
-
-
Morrison, R.C.1
Zhao, Q.2
-
21
-
-
0037425937
-
-
10.1063/1.1535422
-
Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003). 10.1063/1.1535422
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 2498
-
-
Wu, Q.1
Yang, W.2
-
22
-
-
84990669494
-
-
10.1002/qua.560240302
-
E. H. Lieb, Int. J. Quantum Chem. 24, 243 (1983). 10.1002/qua.560240302
-
(1983)
Int. J. Quantum Chem.
, vol.24
, pp. 243
-
-
Lieb, E.H.1
-
27
-
-
0001070592
-
-
2S, we use r 1.336, 92.1 deg. 10.1080/002689798167863
-
2S, we use r 1.336, 92.1 deg. 10.1080/002689798167863
-
(1998)
Mol. Phys.
, vol.94
, pp. 707
-
-
Handy, N.C.1
Tozer, D.J.2
-
28
-
-
2542465418
-
-
10.1142/S0219633603000690
-
Q. Wu and W. Yang, J. Theo. Comp. Chem. 2, 627 (2003). 10.1142/S0219633603000690
-
(2003)
J. Theo. Comp. Chem.
, vol.2
, pp. 627
-
-
Wu, Q.1
Yang, W.2
-
29
-
-
84856448573
-
-
DALTON, a molecular electronic structure program, release DALTON2011, see
-
DALTON, a molecular electronic structure program, release DALTON2011, 2011, see http://daltonprogram.org/.
-
(2011)
-
-
-
31
-
-
26844571037
-
Computation of the hardness and the problem of negative electron affinities in density functional theory
-
DOI 10.1021/jp053504y
-
D. J. Tozer and F. De Proft, J. Phys. Chem. A 109, 8923 (2005). 10.1021/jp053504y (Pubitemid 41464146)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.39
, pp. 8923-8929
-
-
Tozer, D.J.1
De Proft, F.2
-
34
-
-
84856430495
-
-
eff+, and kTs,effav for atoms and molecules presented in Tables 1 and 2.
-
-
-
-
35
-
-
0037661644
-
-
10.1103/PhysRev.144.1
-
B. Y. Tong and L. J. Sham, Phys. Rev. 144, 1 (1966). 10.1103/PhysRev.144. 1
-
(1966)
Phys. Rev.
, vol.144
, pp. 1
-
-
Tong, B.Y.1
Sham, L.J.2
-
36
-
-
22744447543
-
-
10.1007/BF01337700
-
C. F. von Weizscker, Z. Phys. 96, 431 (1935). 10.1007/BF01337700
-
(1935)
Z. Phys.
, vol.96
, pp. 431
-
-
Von Weizscker, C.F.1
-
38
-
-
0001689864
-
-
10.1103/PhysRevB.45.13196
-
L.-W. Wang and M. P. Teter, Phys. Rev. B 45, 13196 (1992). 10.1103/PhysRevB.45.13196
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13196
-
-
Wang, L.-W.1
Teter, M.P.2
-
39
-
-
80051620284
-
-
10.1021/ct200382w
-
S. Laricchia, E. Fabiano, L. A. Constantin, and F. Della Sala, J. Chem. Theory Comput. 7, 2439 (2011). 10.1021/ct200382w
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 2439
-
-
Laricchia, S.1
Fabiano, E.2
Constantin, L.A.3
Della Sala, F.4
-
40
-
-
33748354708
-
Self-consistent embedding theory for locally correlated configuration interaction wave functions in condensed matter
-
DOI 10.1063/1.2336428
-
P. Huang and E. A. Carter, J. Chem. Phys. 125, 084102 (2006). 10.1063/1.2336428 (Pubitemid 44334923)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.8
, pp. 084102
-
-
Huang, P.1
Carter, E.A.2
|