-
1
-
-
0004042456
-
-
K.D. Bonin and V.V. Kresin, Electric-Dipole Polarizabilities of Atoms, Molecules and Clusters, World Scientific, Singapore, 1997.
-
(1997)
Electric-Dipole Polarizabilities of Atoms, Molecules and Clusters, World Scientific, Singapore
-
-
Bonin, K.D.1
Kresin, V.V.2
-
4
-
-
0030125591
-
-
V. Parasuk, P. Neogrády, H. Lischka and M. Urban, J. Phys. Chem. 100 (1996), 6325.
-
(1996)
J. Phys Chem.
, vol.100
, pp. 6325
-
-
Parasuk, V.1
Neogrády, P.2
Lischka, H.3
Urban, M.4
-
5
-
-
0037486829
-
-
P. Neogrády, M. Medved', I. Cernusák and M. Urban, Mol. Phys. 100 (2002), 541.
-
(2002)
Mol. Phys.
, Issue.100
, pp. 541
-
-
Neogrády, P.1
Medved, M.2
Cernusák, I.3
Urban, M.4
-
6
-
-
0000126563
-
-
A. Halkier, W. Klopper, T. Helgaker and P. Jørgensen, J. Chem. Phys. 111 (1999), 4424.
-
(1999)
J. Chem Phys.
, vol.111
, pp. 4424
-
-
Halkier, A.1
Klopper, W.2
Helgaker, T.3
Jørgensen, P.4
-
7
-
-
0001424932
-
-
A. Halkier, H. Koch, O. Christiansen, P. Jørgensen and T. Helgaker, J. Chem. Phys. 107 (1997), 849.
-
(1997)
J. Chem Phys.
, vol.107
, pp. 849
-
-
Halkier, A.1
Koch, H.2
Christiansen, O.3
Jørgensen, P.4
Helgaker, T.5
-
10
-
-
0003418036
-
-
D.R. Yarkony ed., World Scientific, Singapore
-
R.J. Bartlett, in: Modern Electronic Structure Theory, Part II, D.R. Yarkony, ed., World Scientific, Singapore, 1995, 1047;
-
(1995)
Modern Electronic Structure Theory Part II
, vol.1047
-
-
Bartlett, R.J.1
-
11
-
-
0001375710
-
-
ed. Plenum Press, New York
-
M. Urban, I. Cernusák, V. Kellö and J. Noga, 1987, in: Methods in Computational Chemistry, S. Wilson, ed., Plenum Press, New York, p. 117
-
(1987)
Methods in Computational Chemistry, S. Wilson
, pp. 117
-
-
Urban, M.1
-
13
-
-
0343532153
-
-
M. Urban, J. Noga, S.J. Cole and R.J. Bartlett, J. Chem. Phys. 83 (1985), 4041.
-
(1985)
J. Chem Phys.
, vol.83
, pp. 4041
-
-
Urban, M.1
Noga, J.2
Cole, S.J.3
Bartlett, R.J.4
-
14
-
-
0006244148
-
-
K. Raghavachari, G.W. Trucks, J.A. Pople and M. Head-Gordon, Chem. Phys. Letters 157 (1989), 479.
-
(1989)
Chem. Phys Letters
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
15
-
-
0004035344
-
-
S.R. Langhoff, ed. Kluwer Academic Publishers Dordrecht
-
T.J. Lee and G. Scuseria, in: Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, S.R. Langhoff, ed., Kluwer Academic Publishers, Dordrecht, 1995, 47.
-
(1995)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
, vol.47
-
-
Lee, T.J.1
Scuseria, G.2
-
16
-
-
0242574565
-
-
M. Ilias, V. Kell ö, T. Fleig and M. Urban, Theoret. Chim Acc. 110 (2003), 176.
-
(2003)
Theoret. Chim Acc.
, Issue.110
, pp. 176
-
-
Ilias, M.1
Kellö, V.2
Fleig, T.3
Urban, M.4
-
23
-
-
84948661033
-
-
North-Holland, Amsterdam
-
A. Messiah, Quantum Mechanics, (Vol. II), North-Holland, Amsterdam, 1969, p. 943.
-
(1969)
Quantum Mechanics II)
, pp. 943
-
-
Messiah, A.1
-
30
-
-
0001497835
-
-
I. C ernusák, G.H F. Diercksen and A.J. Sadlej, Phys. Rev. A33 (1986), 814.
-
(1986)
Phys. Rev. A
, vol.33
, pp. 814
-
-
Cernusák, I.1
-
38
-
-
84948650884
-
-
John Wiley & Sons, Chichester
-
T.H. Dunning, Jr., and K.A. Peterson, in: Encyclopedia of Computational Chemistry, P. Von Rague Schleyer, ed., John Wiley & Sons, Chichester, 1998.
-
(1998)
Encyclopedia of Computational Chemistry P. von Rague Schleyer
-
-
Dunning, T.H.1
Peterson, K.A.2
-
39
-
-
84948679452
-
-
All available Pol (HyPol) basis sets for nonrelativistic calculations can be found on the web page http://molpir.fns. uniba.sk/Pol.txt the web page http://molpir.fns.uniba.sk/Pol dk.txt (http://molpir.fns.uniba.sk/HyPol dk.txt
-
All available Pol (HyPol) basis sets for nonrelativistic calculations can be found on the web page http://molpir.fns. uniba.sk/Pol.txt (http://molpir.fns.uniba.sk/HyPol.txt); All available Pol dk (HyPol dk)basis sets for DK relativistic calculations can be found on the web page http://molpir.fns.uniba.sk/Pol dk.txt (http://molpir.fns.uniba.sk/HyPol dk.txt).
-
All Available Pol Dk (HyPol Dk)basis Sets for DK Relativistic Calculations Can Be Found on
-
-
-
40
-
-
84948698344
-
-
Lund University, Sweden
-
K. Andersson, M. Barysz, A. Bernhardsson, M.R.A. Blomberg, Y. Carissan, D.L. Cooper, T. Fleig, M.P. Fülscher, B. A. Hess, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B.O. Roos, B. Schimmelpfennig, M. Schütz, L. Seijo, L. Serrano-Andrés, P.E.M. Siegbahn, J. Stålring, T. Thorsteinsson, V. Veryazov, M. Wierzbowska and P.-O. Widmark, MOLCAS, Version 5.2, System of Quantum Chemistry Programs, Lund University, Sweden, 2001.
-
(2001)
MOLCAS, Version 5.2, System of Quantum Chemistry Programs
-
-
Andersson, K.1
Barysz, M.2
Bernhardsson, A.3
Blomberg, M.R.A.4
Carissan, Y.5
Cooper, D.L.6
Fleig, T.7
Fülscher, M.P.8
Hess, B.A.9
Karlström, G.10
Lindh, R.11
Malmqvist, P.-A.12
Neogrády, P.13
Olsen, J.14
Roos, B.O.15
Schimmelpfennig, B.16
Schütz, M.17
Seijo, L.18
Serrano-Andrés, L.19
Siegbahn, P.E.M.20
Stålring, J.21
Thorsteinsson, T.22
Veryazov, V.23
Wierzbowska, M.24
Widmark, P.-O.25
more..
-
43
-
-
0037350323
-
-
R.R. Reddy, Y. Nazeer Ahammed, K. Rama Gopal, P. Abdul Azeem, B. Sasikala Devi, T.V.R. Rao and S.H. Behere, Opt. Mater. 22 (2003), 7.
-
(2003)
Opt. Mater.
, vol.22
, pp. 7
-
-
Reddy, R.R.1
Nazeer Ahammed, Y.2
Rama Gopal, K.3
Abdul Azeem, P.4
Sasikala Devi, B.5
Rao, T.V.R.6
Behere, S.H.7
-
44
-
-
0035147921
-
-
A. Avramopoulos, V.E. Ingamells, M.G. Papadopoulos and A.J. Sadlej, J. Chem. Phys. 114 (2001), 198.
-
(2001)
J. Chem Phys.
, vol.114
, pp. 198
-
-
Avramopoulos, A.1
Ingamells, V.E.2
Papadopoulos, M.G.3
Sadlej, A.J.4
-
45
-
-
36649022540
-
Atomic static dipole polarizabilities
-
G. Maroulis, ed Imperial College Press, to be published.
-
P. Schwerdtfeger, Atomic Static Dipole Polarizabilities, in: Atoms, Molecules and Clusters in Electric fields Theoretical Approaches to the calculation of electric polarizability, G. Maroulis, ed Imperial College Press, to be published.
-
Atoms, Molecules and Clusters in Electric Fields Theoretical Approaches to the Calculation of Electric Polarizability
-
-
Schwerdtfeger, P.1
-
46
-
-
0040975103
-
-
P. Neogrády, V. Kellö, M. Urban and A.J. Sadlej, Int. J. Quantum Chem. 63 (1997), 557.
-
(1997)
Int. J Quantum Chem.
, vol.63
, pp. 557
-
-
Neogrády, P.1
Kellö, V.2
Urban, M.3
Sadlej, A.J.4
-
47
-
-
33645859154
-
-
I.S. Lim, M. Pernpointner, M. Seth, J.K. Laerdahl, P. Schwerdtfeger, P. Neogrády and M. Urban, Phys. Rev. A 60 (1999), 2808.
-
(1999)
Phys. Rev. A
, vol.60
, pp. 2808
-
-
Lim, I.S.1
Pernpointner, M.2
Seth, M.3
Laerdahl, J.K.4
Schwerdtfeger, P.5
Neogrády, P.6
Urban, M.7
-
50
-
-
0000012750
-
-
ed. John Wiley & Sons, Chichester
-
P. Schwerdtfeger and M. Seth, in: Encyclopedia of Computational Chemistry, P. Von Rague Schleyer, ed., John Wiley & Sons, Chichester, 1998, p. 2480.
-
(1998)
Encyclopedia of Computational Chemistry P. von Rague Schleyer
, pp. 2480
-
-
Schwerdtfeger, P.1
Seth, M.2
-
52
-
-
0001623562
-
-
M. Ilias, P. Furdk and M. Urban, J. Phys. Chem. 102 (1998), 5263.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 5263
-
-
Ilias, M.1
-
55
-
-
0040975149
-
-
P. Neogrády, V. Kellö, M. Urban and A.J. Sadlej, Theor. Chim. Acta 93 (1996), 101.
-
(1996)
Theor. Chim Acta
, vol.93
, pp. 101
-
-
Neogrády, P.1
Kellö, V.2
Urban, M.3
Sadlej, A.J.4
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