-
3
-
-
30744467140
-
-
0021-9606 10.1063/1.2150818.
-
I. G. Gurtubay, N. D. Drummond, M. D. Towler, and R. J. Needs, J. Chem. Phys. 0021-9606 10.1063/1.2150818 124, 024318 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 024318
-
-
Gurtubay, I.G.1
Drummond, N.D.2
Towler, M.D.3
Needs, R.J.4
-
4
-
-
0001802479
-
-
0065-2385 10.1002/9780470143599.ch2.
-
J. Čižek, Adv. Chem. Phys. 0065-2385 10.1002/9780470143599. ch2 14, 35 (1969).
-
(1969)
Adv. Chem. Phys.
, vol.14
, pp. 35
-
-
Čižek, J.1
-
5
-
-
0006244148
-
-
0009-2614 10.1016/S0009-2614(89)87395-6.
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(89)87395-6 157, 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
-
6
-
-
45149135930
-
-
0009-2614 10.1016/0009-2614(90)87031-L.
-
R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(90)87031-L 165, 513 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.165
, pp. 513
-
-
Bartlett, R.J.1
Watts, J.D.2
Kucharski, S.A.3
Noga, J.4
-
9
-
-
0018605084
-
-
0027-8424 10.1073/pnas.76.12.6062.
-
M. Levy, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.76.12.6062 76, 6062 (1979).
-
(1979)
Proc. Natl. Acad. Sci. U.S.A.
, vol.76
, pp. 6062
-
-
Levy, M.1
-
10
-
-
0000317461
-
-
0021-9606 10.1063/1.440249.
-
S. M. Valone, J. Chem. Phys. 0021-9606 10.1063/1.440249 73, 1344 (1980).
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 1344
-
-
Valone, S.M.1
-
11
-
-
34247361694
-
-
in, Advances in Chemical Physics, Vol., edited by D. A. Mazziotti (Wiley, New York), Cha
-
M. Piris, in Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules, Advances in Chemical Physics, Vol. 134, edited by, D. A. Mazziotti, (Wiley, New York, 2007), Chap., pp. 387-428.
-
(2007)
Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules
, vol.134
, pp. 387-428
-
-
Piris, M.1
-
18
-
-
41849145339
-
-
0021-9606 10.1063/1.2888550.
-
E. Cances and K. Pernal, J. Chem. Phys. 0021-9606 10.1063/1.2888550 128, 134108 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 134108
-
-
Cances, E.1
Pernal, K.2
-
19
-
-
41449087638
-
-
1050-2947 10.1103/PhysRevA.77.032509.
-
M. A. L. Marques and N. N. Lathiotakis, Phys. Rev. A 1050-2947 10.1103/PhysRevA.77.032509 77, 032509 (2008).
-
(2008)
Phys. Rev. A
, vol.77
, pp. 032509
-
-
Marques, M.A.L.1
Lathiotakis, N.N.2
-
22
-
-
33645056677
-
-
0020-7608 10.1002/qua.20858.
-
M. Piris, Int. J. Quantum Chem. 0020-7608 10.1002/qua.20858 106, 1093 (2006).
-
(2006)
Int. J. Quantum Chem.
, vol.106
, pp. 1093
-
-
Piris, M.1
-
23
-
-
28844442388
-
-
0021-9606 10.1063/1.2135289.
-
P. Leiva and M. Piris, J. Chem. Phys. 0021-9606 10.1063/1.2135289 123, 214102 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 214102
-
-
Leiva, P.1
Piris, M.2
-
24
-
-
84987141253
-
-
0360-8832.
-
O. W. Day, D. W. Smith, and C. Ganrot, Int. J. Quantum Chem., Symp. 0360-8832 8, 501 (1974).
-
(1974)
Int. J. Quantum Chem., Symp.
, vol.8
, pp. 501
-
-
Day, O.W.1
Smith, D.W.2
Ganrot, C.3
-
26
-
-
0347879776
-
-
in, Queen's Papers in Pure and Applied Mathematics, edited by R. M. Erdahl (Queen's University, Kingston), Vol. 40, 177.
-
O. W. Day and D. W. Smith, in Reduced Density Operators with Applic Phys Chem Systems II, Queen's Papers in Pure and Applied Mathematics, edited by, R. M. Erdahl, (Queen's University, Kingston, 1974), Vol. 40, p. 177.
-
(1974)
Reduced Density Operators with Applic Phys Chem Systems II
-
-
Day, O.W.1
Smith, D.W.2
-
27
-
-
46749127237
-
-
in, Queen's Papers in Pure and Applied Mathematics, edited by R. M. Erdahl (Queen's University, Kingston), Vol. 40, 188.
-
M. M. Morrell, R. G. Parr, and M. Levy, in Reduced Density Operators with Applic Phys Chem Systems II, Queen's Papers in Pure and Applied Mathematics, edited by, R. M. Erdahl, (Queen's University, Kingston, 1974), Vol. 40, p. 188.
-
(1974)
Reduced Density Operators with Applic Phys Chem Systems II
-
-
Morrell, M.M.1
Parr, R.G.2
Levy, M.3
-
28
-
-
0347879776
-
-
in, Queen's Papers in Pure and Applied Mathematics, edited by R. M. Erdahl (Queen's University, Kingston), Vol. 40, 193.
-
V. H. Smith and Y. Ohrn, in Reduced Density Operators with Applic Phys Chem Systems II, Queen's Papers in Pure and Applied Mathematics, edited by, R. M. Erdahl, (Queen's University, Kingston, 1974), Vol. 40, p. 193.
-
(1974)
Reduced Density Operators with Applic Phys Chem Systems II
-
-
Smith, V.H.1
Ohrn, Y.2
-
29
-
-
0000110616
-
-
0021-9606 10.1063/1.430253.
-
D. W. Smith and O. W. Day, J. Chem. Phys. 0021-9606 10.1063/1.430253 62, 113 (1975).
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 113
-
-
Smith, D.W.1
Day, O.W.2
-
32
-
-
0000461256
-
-
0021-9606 10.1063/1.432491.
-
R. Ahlrichs J. Chem. Phys. 0021-9606 10.1063/1.432491 64, 2706 (1976).
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 2706
-
-
Ahlrichs, R.1
-
35
-
-
0003097117
-
-
0009-2614 10.1016/0009-2614(88)80134-9.
-
B. T. Pickup and J. G. Snijders, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(88)80134-9 153, 69 (1988).
-
(1988)
Chem. Phys. Lett.
, vol.153
, pp. 69
-
-
Pickup, B.T.1
Snijders, J.G.2
-
36
-
-
36449009759
-
-
0021-9606 10.1063/1.461875.
-
R. C. Morrison, J. Chem. Phys. 0021-9606 10.1063/1.461875 96, 3718 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 3718
-
-
Morrison, R.C.1
-
38
-
-
0000229133
-
-
0021-9606 10.1063/1.464028.
-
D. Sundholm and J. Olsen, J. Chem. Phys. 0021-9606 10.1063/1.464028 98, 3999 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 3999
-
-
Sundholm, D.1
Olsen, J.2
-
39
-
-
0010159376
-
-
0021-9606 10.1063/1.465886.
-
R. C. Morrison, J. Chem. Phys. 0021-9606 10.1063/1.465886 99, 6221 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 6221
-
-
Morrison, R.C.1
-
41
-
-
0011565410
-
-
0020-7608 10.1002/(SICI)1097-461X(1996)57:3<391::AID-QUA123.0.CO;2-7.
-
J. O. W. Day, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1996)57:3<391::AID-QUA123.0.CO;2-7 57, 391 (1996).
-
(1996)
Int. J. Quantum Chem.
, vol.57
, pp. 391
-
-
Day, J.O.W.1
-
43
-
-
0032557307
-
-
0009-2614 10.1016/S0009-2614(98)00302-9.
-
J. Olsen and D. Sundholm, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00302-9 288, 282 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.288
, pp. 282
-
-
Olsen, J.1
Sundholm, D.2
-
44
-
-
0035826029
-
-
0021-9606 10.1063/1.1336543.
-
K. Pernal and J. Cioslowski, J. Chem. Phys. 0021-9606 10.1063/1.1336543 114, 4359 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4359
-
-
Pernal, K.1
Cioslowski, J.2
-
45
-
-
10844247035
-
-
1387-3806 10.1016/j.ijms.2004.09.018.
-
J. M. Mercero, J. M. Matxain, X. Lopez, D. M. York, A. Largo, L. A. Eriksson, and J. M. Ugalde, Int. J. Mass. Spectrom. 1387-3806 10.1016/j.ijms.2004.09.018 240, 37 (2005).
-
(2005)
Int. J. Mass. Spectrom.
, vol.240
, pp. 37
-
-
Mercero, J.M.1
Matxain, J.M.2
Lopez, X.3
York, D.M.4
Largo, A.5
Eriksson, L.A.6
Ugalde, J.M.7
-
46
-
-
36749106384
-
-
0021-9606 10.1063/1.438678.
-
R. A. Donnelly, J. Chem. Phys. 0021-9606 10.1063/1.438678 71, 2874 (1979).
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 2874
-
-
Donnelly, R.A.1
-
47
-
-
23144462708
-
-
0009-2614 10.1016/j.cplett.2005.06.103.
-
K. Pernal and J. Cioslowski, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2005.06.103 412, 71 (2005).
-
(2005)
Chem. Phys. Lett.
, vol.412
, pp. 71
-
-
Pernal, K.1
Cioslowski, J.2
-
48
-
-
33748466869
-
-
0166-1280 10.1016/j.theochem.2006.05.001.
-
P. Leiva and M. Piris, J. Mol. Struct.: THEOCHEM 0166-1280 10.1016/j.theochem.2006.05.001 770, 45 (2006).
-
(2006)
J. Mol. Struct.: THEOCHEM
, vol.770
, pp. 45
-
-
Leiva, P.1
Piris, M.2
-
49
-
-
36749108304
-
-
0021-9606 10.1063/1.431514.
-
J. B. Anderson, J. Chem. Phys. 0021-9606 10.1063/1.431514 63, 1499 (1975).
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 1499
-
-
Anderson, J.B.1
-
50
-
-
36749113702
-
-
0021-9606 10.1063/1.443612.
-
J. W. Moskowitz, K. E. Schmidt, M. A. Lee, and M. H. Kalos, J. Chem. Phys. 0021-9606 10.1063/1.443612 77, 349 (1982).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 349
-
-
Moskowitz, J.W.1
Schmidt, K.E.2
Lee, M.A.3
Kalos, M.H.4
-
51
-
-
0000566681
-
-
0021-9606 10.1063/1.443766.
-
P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr., J. Chem. Phys. 0021-9606 10.1063/1.443766 77, 5593 (1982).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 5593
-
-
Reynolds, P.J.1
Ceperley, D.M.2
Alder, B.J.3
Lester Jr., W.A.4
-
54
-
-
46749142777
-
-
GAUSSIAN 03, Revision 02, Gaussian, Inc., Wallingford, CT.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision 02, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
55
-
-
46749139339
-
-
CASINO 2.0, University of Cambridge, Cambridge.
-
N. D. R. J. Needs, M. D. Towler, and P. Kent, CASINO 2.0, University of Cambridge, Cambridge, 2006.
-
(2006)
-
-
Needs, N.D.R.J.1
Towler, M.D.2
Kent, P.3
-
56
-
-
26844534384
-
-
0021-9606 10.1063/1.438955.
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.438955 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
|