-
1
-
-
0039449877
-
-
10.1006/jcph.1998.5953
-
J. C. Greer, J. Comp. Phys. 146, 181 (1998). 10.1006/jcph.1998.5953
-
(1998)
J. Comp. Phys.
, vol.146
, pp. 181
-
-
Greer, J.C.1
-
2
-
-
0034274828
-
-
10.1016/S0010-4655(00)00119-3
-
L. Tong, M. Nolan, T. Cheng, and J. C. Greer, Comput. Phys. Commun. 131, 142 (2000). 10.1016/S0010-4655(00)00119-3
-
(2000)
Comput. Phys. Commun.
, vol.131
, pp. 142
-
-
Tong, L.1
Nolan, M.2
Cheng, T.3
Greer, J.C.4
-
7
-
-
34250699732
-
-
10.1063/1.441359
-
P. E. M. Siegbahn, J. Almlöf, A. Heiberg, and B. O. Roos, J. Chem. Phys. 74, 2384 (1981). 10.1063/1.441359
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 2384
-
-
Siegbahn, P.E.M.1
Almlöf, J.2
Heiberg, A.3
Roos, B.O.4
-
8
-
-
0013004607
-
-
10.1021/j100377a012
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990). 10.1021/j100377a012
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-A.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
9
-
-
74049144161
-
-
10.1016/j.cplett.2009.12.047
-
Y. Ohtsuka and S. Nagase, Chem. Phys. Lett. 485, 367 (2010). 10.1016/j.cplett.2009.12.047
-
(2010)
Chem. Phys. Lett.
, vol.485
, pp. 367
-
-
Ohtsuka, Y.1
Nagase, S.2
-
11
-
-
84877296340
-
-
10.1063/1.4802766
-
S. Ten-no, J. Chem. Phys. 138, 164126 (2013). 10.1063/1.4802766
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 164126
-
-
Ten-No, S.1
-
13
-
-
84903364722
-
-
MOLPRO, version 2010.1, a package of ab initio programs, see
-
H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, MOLPRO, version 2010.1, a package of ab initio programs, 2010, see http://www.molpro.net.
-
(2010)
-
-
Werner, H.-J.1
Knowles, P.J.2
Knizia, G.3
Manby, F.R.4
Schütz, M.5
-
14
-
-
33751324591
-
-
http://www.univie.ac.at/columbus (2008).
-
H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, T. Muller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Boehm, A. Chang, D. C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Hochtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M. J. M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schuler, M. Seth, E. A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D. R. Yarkony, S. R. Brozell, E. V. Beck, J.-P. Blaudeau, M. Ruckenbauer, B. Sellner, F. Plasser, and J. J. Szymczak, " Columbus, an ab initio electronic structure program, Release 5.9.2, http://www.univie.ac.at/columbus (2008).."
-
Columbus, An Ab Initio Electronic Structure Program, Release 5.9.2
-
-
Lischka, H.1
Shepard, R.2
Shavitt, I.3
Pitzer, R.M.4
Dallos, M.5
Muller, T.6
Szalay, P.G.7
Brown, F.B.8
Ahlrichs, R.9
Boehm, H.J.10
Chang, A.11
Comeau, D.C.12
Gdanitz, R.13
Dachsel, H.14
Ehrhardt, C.15
Ernzerhof, M.16
Hochtl, P.17
Irle, S.18
Kedziora, G.19
Kovar, T.20
Parasuk, V.21
Pepper, M.J.M.22
Scharf, P.23
Schiffer, H.24
Schindler, M.25
Schuler, M.26
Seth, M.27
Stahlberg, E.A.28
Zhao, J.-G.29
Yabushita, S.30
Zhang, Z.31
Barbatti, M.32
Matsika, S.33
Schuurmann, M.34
Yarkony, D.R.35
Brozell, S.R.36
Beck, E.V.37
Blaudeau, J.-P.38
Ruckenbauer, M.39
Sellner, B.40
Plasser, F.41
Szymczak, J.J.42
more..
-
16
-
-
0003635275
-
-
edited by C. Moler and I. Shavitt (Lawrence Berkeley National Laboratory)
-
B. Liu, in Report on The Workshop Numerical Algorithms in Chemistry: Algebraic Methods, edited by, C. Moler, and, I. Shavitt, (Lawrence Berkeley National Laboratory, 1979), p. 49.
-
(1979)
Report on the Workshop Numerical Algorithms in Chemistry: Algebraic Methods
, pp. 49
-
-
Liu, B.1
-
18
-
-
24544432103
-
-
10.1103/PhysRev.97.1474
-
P.-O. Löwdin, Phys. Rev. 97, 1474 (1955). 10.1103/PhysRev.97.1474
-
(1955)
Phys. Rev.
, vol.97
, pp. 1474
-
-
Löwdin, P.-O.1
-
21
-
-
0032557323
-
-
10.1016/S0009-2614(98)00252-8
-
J. Finley, P.-Å. Malmqvist, B. O. Roos, and L. Serrano- Andrés, Chem. Phys. Lett. 288, 299 (1998). 10.1016/S0009-2614(98)00252-8
-
(1998)
Chem. Phys. Lett.
, vol.288
, pp. 299
-
-
Finley, J.1
Malmqvist, P.-A.2
Roos, B.O.3
Serrano-Andrés, L.4
-
22
-
-
70349624940
-
-
10.1063/1.3237028
-
A. J. C. Varandas, J. Chem. Phys. 131, 124128 (2009). 10.1063/1.3237028
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 124128
-
-
Varandas, A.J.C.1
-
23
-
-
0000462365
-
-
10.1063/1.469756
-
J. C. Greer, J. Chem. Phys. 103, 1821 (1995). 10.1063/1.469756
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 1821
-
-
Greer, J.C.1
-
25
-
-
0000266721
-
-
10.1063/1.471020
-
D. R. Yarkony, J. Chem. Phys. 104, 2932 (1996). 10.1063/1.471020
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2932
-
-
Yarkony, D.R.1
-
26
-
-
41949111772
-
-
10.1063/1.2889385
-
M. Schreiber, M. R. Silva-Junior, S. P. A. Sauer, and W. Thiel, J. Chem. Phys. 128, 134110 (2008). 10.1063/1.2889385
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 134110
-
-
Schreiber, M.1
Silva-Junior, M.R.2
Sauer, S.P.A.3
Thiel, W.4
-
28
-
-
0000636141
-
-
10.1002/ (SICI) 1097-461X (1998) 66:2<157::A ID-QUA7>3.0.CO;2-U
-
K. Nakayama, H. Nakano, and K. Hirao, Int. J. Quantum Chem. 66, 157 (1998). 10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U
-
(1998)
Int. J. Quantum Chem.
, vol.66
, pp. 157
-
-
Nakayama, K.1
Nakano, H.2
Hirao, K.3
-
29
-
-
0000731073
-
-
10.1063/1.460537
-
R. J. Harrison, J. Chem. Phys. 94, 5021 (1991). 10.1063/1.460537
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 5021
-
-
Harrison, R.J.1
|