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10
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85031578716
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The COLUMBUS program system is available from
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R. Shepard, I. Shavitt, R.M. Pitzer, D.C. Comeau, M. Pepper, H. Lischka, P.G. Szalay, R. Ahlrichs, F.B. Brown, J. Zhao, Int. J. Quant. Chem. Symp. 22 (1988) 249. The COLUMBUS program system is available from http://www.itc.univie.ac.at/ hans.
-
(1988)
Int. J. Quant. Chem. Symp.
, vol.22
, pp. 249
-
-
Shepard, R.1
Shavitt, I.2
Pitzer, R.M.3
Comeau, D.C.4
Pepper, M.5
Lischka, H.6
Szalay, P.G.7
Ahlrichs, R.8
Brown, F.B.9
Zhao, J.10
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11
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0003474751
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Cambridge University Press, Cambridge
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W.H. Press, S.A. Teulolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing (Cambridge University Press, Cambridge, 1992).
-
(1992)
Numerical Recipes: The Art of Scientific Computing
-
-
Press, W.H.1
Teulolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
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12
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0007072630
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D.W. Smith, W.B. McRae (Eds.) John Wiley and Sons
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F.e. Harris, in: Energy Structure and Reactivity, D.W. Smith, W.B. McRae (Eds.) (John Wiley and Sons, 1973) p. 112.
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(1973)
Energy Structure and Reactivity
, pp. 112
-
-
Harris, F.E.1
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14
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85031559240
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The LAPACK libraries, including the BLAS libraries, are available for free from NETLIB. The URL is
-
The LAPACK libraries, including the BLAS libraries, are available for free from NETLIB. The URL is http://www.netlib.org.
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-
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15
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85031558846
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The documentation for the LAPACK and BLAS libraries comes with the distribution versions of LAPACK and is also available from the netlib web site at
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The documentation for the LAPACK and BLAS libraries comes with the distribution versions of LAPACK and is also available from the netlib web site at http://www.netlib.org/lapack/lug/lapack_lug.html.
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-
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16
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0001198991
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H.F. Schaefer III (Ed.) Plenum, New York
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I. Shavitt, in: Modern Theoretical Chemistry, Vol. 3, H.F. Schaefer III (Ed.) (Plenum, New York, 1977) p. 277.
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(1977)
Modern Theoretical Chemistry
, vol.3
, pp. 277
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-
Shavitt, I.1
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17
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-
85031558200
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The LAM libraries are available for free from Notre-Dame University. The URL is
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The LAM libraries are available for free from Notre-Dame University. The URL is http://www.mpi.nd.edu/lam.
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-
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18
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85031571601
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The TCGMSG message passing libraries are available from Argonne National Labs at ftp.tcg.anl.gov/pubo/tcgmsg. It is also possible to obtain them from Pacific Northwest Labs. The URL is and selecting the TCGMSG- MPI link
-
The TCGMSG message passing libraries are available from Argonne National Labs at ftp.tcg.anl.gov/pubo/tcgmsg. It is also possible to obtain them from Pacific Northwest Labs. The URL is http://www.emsl.pnl.gov:2080/docs/homepage.html and selecting the TCGMSG- MPI link.
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22
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85031578811
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note
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The cc-pVDZ basis set was obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
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23
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0003568278
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H.F. Schaefer III (Ed.) Plenum, New York
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T.H. Dunning Jr., P.J. Hay, in: Modern Theoretical Chemistry, Vol. 3, H.F. Schaefer III (Ed.) (Plenum, New York, 1977).
-
(1977)
Modern Theoretical Chemistry
, vol.3
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Dunning T.H., Jr.1
Hay, P.J.2
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