-
2
-
-
0035529353
-
-
W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. 73, 33 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 33
-
-
Foulkes, W.M.C.1
Mitas, L.2
Needs, R.J.3
Rajagopal, G.4
-
3
-
-
72249083940
-
-
R. J. Needs, M. D. Towler, N. D. Drummond, and P. López Ríos, J. Phys.: Condens. Matter 22, 023201 (2010).
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, pp. 023201
-
-
Needs, R.J.1
Towler, M.D.2
Drummond, N.D.3
López Ríos, P.4
-
4
-
-
84855853710
-
-
B. M. Austin, D. Yu. Zubarev, and W. A. Lester, Jr., Chem. Rev. 112, 263 (2012).
-
(2012)
Chem. Rev.
, vol.112
, pp. 263
-
-
Austin, B.M.1
Zubarev, Yu.D.2
Lester Jr., W.A.3
-
6
-
-
27944444618
-
-
A. Ma, N. D. Drummond, M. D. Towler, and R. J. Needs, Phys. Rev. E 71, 066704 (2005).
-
(2005)
Phys. Rev. E
, vol.71
, pp. 066704
-
-
Ma, A.1
Drummond, N.D.2
Towler, M.D.3
Needs, R.J.4
-
9
-
-
0034668526
-
-
Y. Lee, P. R. C. Kent, M. D. Towler, R. J. Needs, and G. Rajagopal, Phys. Rev. B 62, 13347 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 13347
-
-
Lee, Y.1
Kent, P.R.C.2
Towler, M.D.3
Needs, R.J.4
Rajagopal, G.5
-
10
-
-
84878357773
-
-
G. H. Booth, A. Grüneis, G. Kresse, and A. Alavi, Nature (London) 493, 365 (2012).
-
(2012)
Nature (London)
, vol.493
, pp. 365
-
-
Booth, G.H.1
Grüneis, A.2
Kresse, G.3
Alavi, A.4
-
19
-
-
33947364042
-
-
C. Froese Fischer, G. Tachiev, G. Gaigalas, and M. Godefroid, Comput. Phys. Commun. 176, 559 (2007);
-
(2007)
Comput. Phys. Commun.
, vol.176
, pp. 559
-
-
Froese Fischer, C.1
Tachiev, G.2
Gaigalas, G.3
Godefroid, M.4
-
20
-
-
70450223688
-
-
ibid.
-
A. Borgoo, O. Scharf, G. Gaigalas, and M. Godefroid, ibid. 181, 426 (2010).
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 426
-
-
Borgoo, A.1
Scharf, O.2
Gaigalas, G.3
Godefroid, M.4
-
21
-
-
84903369730
-
-
version 1, a package of ab initio programs
-
H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz et al., MOLPRO, version 2012.1, a package of ab initio programs, see http://www.molpro.net.
-
(2012)
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
-
27
-
-
36549094943
-
-
J. A. Pople, M. Head-Gorden, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989);
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gorden, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
28
-
-
0000664876
-
-
ibid.
-
L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, ibid. 93, 2537 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
33
-
-
84868547695
-
-
NIST ASD Team version 5.0, National Institute of Standards and Technology, Gaithersburg, MD
-
A. Kramida, Y. Ralchenko, J. Reader, and NIST ASD Team, NIST Atomic Spectra Database, version 5.0, National Institute of Standards and Technology, Gaithersburg, MD, 2011, see http://physics.nist.gov/asd.
-
(2011)
NIST Atomic Spectra Database
-
-
Kramida, A.1
Ralchenko, Y.2
Reader, J.3
-
39
-
-
0001634558
-
-
G. Haeffler, G. Hanstorp, I. Kiyan, A. E. Klinkmüller, U. Ljungblad, and D. J. Pegg, Phys. Rev. A 53, 4127 (1996).
-
(1996)
Phys. Rev. A
, vol.53
, pp. 4127
-
-
Haeffler, G.1
Hanstorp, G.2
Kiyan, I.3
Klinkmüller, A.E.4
Ljungblad, U.5
Pegg, D.J.6
-
40
-
-
0001585259
-
-
M. Scheer, R. C. Bilodeau, C. A. Brodie, and H. K. Haugen, Phys. Rev. A 58, 2844 (1998).
-
(1998)
Phys. Rev. A
, vol.58
, pp. 2844
-
-
Scheer, M.1
Bilodeau, R.C.2
Brodie, C.A.3
Haugen, H.K.4
-
42
-
-
0003825713
-
-
NIST Standard Reference Database Number 101, Release 15b NIST, Gaithersburg, MD, August
-
NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 15b, edited by R. D. Johnson III (NIST, Gaithersburg, MD, August 2011), see http://cccbdb.nist.gov/.
-
(2011)
NIST Computational Chemistry Comparison and Benchmark Database
-
-
Johnson III, R.D.1
-
44
-
-
21244458031
-
-
A. G. Császár, G. Czakó, T. Furtenbacher, J. Tennyson, V. Szalay, S. V. Shirin, N. F. Zobov, and O. L. Polyansky, J. Chem. Phys. 122, 214305 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 214305
-
-
Császár, A.G.1
Czakó, G.2
Furtenbacher, T.3
Tennyson, J.4
Szalay, V.5
Shirin, S.V.6
Zobov, N.F.7
Polyansky, O.L.8
-
49
-
-
33644852606
-
-
NIST, Gaithersburg, MD
-
NIST Chemistry WebBook, NIST Standard Reference Database Number 69, edited by P. J. Linstrom and W. G. Mallard (NIST, Gaithersburg, MD, 2005).
-
(2005)
NIST Chemistry WebBook, NIST Standard Reference Database Number 69
-
-
Linstrom, P.J.1
Mallard, W.G.2
-
51
-
-
8344278025
-
-
G. Michalski, R. Jost, D. Sugny, M. Joyeux, and M. Thiemens, J. Chem. Phys. 121, 7153 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 7153
-
-
Michalski, G.1
Jost, R.2
Sugny, D.3
Joyeux, M.4
Thiemens, M.5
-
55
-
-
84873599291
-
-
F. Pfeiffer, G. Rauhut, D. Feller, and K. A. Peterson, J. Chem. Phys. 138, 044311 (2013).
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 044311
-
-
Pfeiffer, F.1
Rauhut, G.2
Feller, D.3
Peterson, K.A.4
-
56
-
-
84903369721
-
-
See supplementary material at http://dx.doi.org/10.1063/1.4811651 for more details of the CEPPs.
-
-
-
|