-
9
-
-
0344272365
-
-
J. M. Matxain, J. M. Mercero, J. E. Fowler, and J. M. Ugalde, J. Phys. Chem. A 107, 9918 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9918
-
-
Matxain, J.M.1
Mercero, J.M.2
Fowler, J.E.3
Ugalde, J.M.4
-
10
-
-
10044220968
-
-
J. M. Matxain, J. M. Mercero, J. E. Fowler, and J. M. Ugalde, J. Phys. Chem. A 108, 10502 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10502
-
-
Matxain, J.M.1
Mercero, J.M.2
Fowler, J.E.3
Ugalde, J.M.4
-
19
-
-
0032533078
-
-
C. A. Fancher, H. L. de Clercq, D. W. Robinson, and K. H. Bowen, J. Chem. Phys. 109, 8426 (1998).
-
(1998)
J. Chem. Phys
, vol.109
, pp. 8426
-
-
Fancher, C.A.1
de Clercq, H.L.2
Robinson, D.W.3
Bowen, K.H.4
-
20
-
-
0035859430
-
-
J. H. Kim, X. Li, L.-S. Wang, H. L. de Clercq, C. A. Fancher, O. C. Thomas, and K. H. Bowen, J. Phys. Chem. A 105, 5709 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 5709
-
-
Kim, J.H.1
Li, X.2
Wang, L.-S.3
de Clercq, H.L.4
Fancher, C.A.5
Thomas, O.C.6
Bowen, K.H.7
-
21
-
-
0038808290
-
-
V. D. Moravec, S. A. Klopcic, B. Chatterjee, and C. C. Jarrold, Chem. Phys. Lett. 341, 313 (2001).
-
(2001)
Chem. Phys. Lett
, vol.341
, pp. 313
-
-
Moravec, V.D.1
Klopcic, S.A.2
Chatterjee, B.3
Jarrold, C.C.4
-
26
-
-
36549093467
-
-
M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 86, 2123 (1987).
-
(1987)
J. Chem. Phys
, vol.86
, pp. 2123
-
-
Dolg, M.1
Wedig, U.2
Stoll, H.3
Preuss, H.4
-
28
-
-
0037658453
-
-
R. Butler, S. Katz, A. Snelson, and J. B. Stephens, J. Phys. Chem. 83, 2578 (1979).
-
(1979)
J. Phys. Chem
, vol.83
, pp. 2578
-
-
Butler, R.1
Katz, S.2
Snelson, A.3
Stephens, J.B.4
-
32
-
-
0026146002
-
-
D. Strömberg, A. Strömberg, and U. Wahlgren, Water, Air, Soil Pollut. 56, 681 (1991).
-
(1991)
Water, Air, Soil Pollut
, vol.56
, pp. 681
-
-
Strömberg, D.1
Strömberg, A.2
Wahlgren, U.3
-
33
-
-
34347263331
-
-
H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobhyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson, MOLPRO, version 2006.1, a package of ab initio programs, see, 2006
-
H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobhyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson, MOLPRO, version 2006.1, a package of ab initio programs, see http://www.molpro.net. (2006).
-
-
-
-
38
-
-
0346521279
-
-
K. A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. 119, 11113 (2003).
-
(2003)
J. Chem. Phys
, vol.119
, pp. 11113
-
-
Peterson, K.A.1
Figgen, D.2
Goll, E.3
Stoll, H.4
Dolg, M.5
-
42
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 156, 479 (1989).
-
(1989)
Chem. Phys. Lett
, vol.156
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
53
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 286, 243 (1998).
-
(1998)
Chem. Phys. Lett
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
54
-
-
0000724478
-
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997).
-
(1997)
J. Chem. Phys
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
57
-
-
0038060445
-
LEVEL 7.1: A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels
-
CP-642R
-
R. J. Le Roy, LEVEL 7.1: A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels, University of Waterloo Chemical Physics Research Report CP-642R (2000).
-
(2000)
University of Waterloo Chemical Physics Research Report
-
-
Le Roy, R.J.1
-
58
-
-
34347264427
-
-
C. E. Moore, Atomic Energy Levels. (NSRDS-NBS 35, Office of Standard Reference Data, National Bureau of Standards, Washington, B.C., 1971).
-
C. E. Moore, Atomic Energy Levels. (NSRDS-NBS 35, Office of Standard Reference Data, National Bureau of Standards, Washington, B.C., 1971).
-
-
-
-
59
-
-
34347264800
-
-
J. Sansonetti, W. Martin, and S. Young, Handbook of Basic Atomic Spectroscopic Data version 1.1.2, National Institute of Standards and Technology, Gaithersburg, MD, 2005
-
J. Sansonetti, W. Martin, and S. Young, Handbook of Basic Atomic Spectroscopic Data (version 1.1.2), National Institute of Standards and Technology, Gaithersburg, MD, http://physics.nist.gov/Handbook (2005).
-
-
-
-
60
-
-
0034634787
-
-
A. Berning, M. Schweizer, H.-J. Werner, P. J. Knowles, and P. Palmieri, Mol. Phys. 98, 1823 (2000).
-
(2000)
Mol. Phys
, vol.98
, pp. 1823
-
-
Berning, A.1
Schweizer, M.2
Werner, H.-J.3
Knowles, P.J.4
Palmieri, P.5
-
63
-
-
34347208623
-
-
H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, Th. Müller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Böhm, A. Chang, D. C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M. J. M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E. A. Stahlberg, J.-G. Zhao, S. Yabushita, and Z. Zhang, COLUMBUS, an ab initio electronic structure program, release 5.8 2001
-
H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, Th. Müller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Böhm, A. Chang, D. C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M. J. M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E. A. Stahlberg, J.-G. Zhao, S. Yabushita, and Z. Zhang, COLUMBUS, an ab initio electronic structure program, release 5.8 (2001).
-
-
-
-
65
-
-
34347228088
-
-
Exponents added to the aug-cc-pVTZ-PP basis sets of Se, Te, and Po to obtain aug-cc-pwCVTZ-PP basis sets were: s,6.5147,1.3431; p,9.0619,1.7860; d,3.6477,1.5793; f,7.3568,1.8882; g,2.2145 for Se, s, 1.9752,1.2390; p,4.7811,1.2395; d, 1.9799,1.0020; f,4.4765,1.2436; g,1.3881 for Te, and 8,1.7157,1.0762; p,2.3166,1.3772; d,3.0977,0.8393; f,2.4927,0.9331; g,1.1158 for Po.
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Exponents added to the aug-cc-pVTZ-PP basis sets of Se, Te, and Po to obtain aug-cc-pwCVTZ-PP basis sets were: s,6.5147,1.3431; p,9.0619,1.7860; d,3.6477,1.5793; f,7.3568,1.8882; g,2.2145 for Se, s, 1.9752,1.2390; p,4.7811,1.2395; d, 1.9799,1.0020; f,4.4765,1.2436; g,1.3881 for Te, and 8,1.7157,1.0762; p,2.3166,1.3772; d,3.0977,0.8393; f,2.4927,0.9331; g,1.1158 for Po.
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