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M. T. Thoman, A. G. Mikhalchuk, H. M. Bozler, and C. M. Gould, Czech. J. Phys. 46 S1, 229 (1996); C. M. Gould and H. M. Bozler, J. Low Temp. Phys. 113, 661 (1998); A. G. Mikhalchuk, K. S. White, H. M. Bozler, and C. M. Gould, Physica B 284-288, 238 (2000).
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Gaussian, Pittsburgh
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For a general review of methods, density functionals, and basis sets in Ref. 9, see J. B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian, Pittsburgh, 1996); A. Frisch and M. J. Frisch, GAUSSIAN 98 User's Reference (Gaussian, Pittsburgh, 1998);
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11
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0004133516
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Gaussian, Pittsburgh
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For a general review of methods, density functionals, and basis sets in Ref. 9, see J. B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian, Pittsburgh, 1996); A. Frisch and M. J. Frisch, GAUSSIAN 98 User's Reference (Gaussian, Pittsburgh, 1998);
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Frisch, A.1
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For the methods and basis sets used herein, see (a) b3lyp: A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988);
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Becke, A.D.1
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For the methods and basis sets used herein, see (a) b3lyp: A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988);
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(c) cc-pV5Z: A. Wilson, T. van Mourik, and T. H. Dunning, Jr., J. Mol. Struct.: THEOCHEM 388, 399 (1997).
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Van Mourik, T.2
Dunning T.H., Jr.3
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0342281605
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Gaussian, Inc., Pittsburgh, PA
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The Hartree-Fock and density functional calculations were performed using GAUSSIAN 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA (1998).
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The Hartree-Fock and Density Functional Calculations Were Performed Using GAUSSIAN 98, Revision A.7
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
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17
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20
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0343151056
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private communication
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We have also made use of the results of a FCI/t-aug-cc-pVTZ calculation, A. Rizzo (private communication).
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A. Rizzo1
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21
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36149011366
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H. B. G. Casimir and D. Polder, Phys. Rev. 73, 360 (1948); K. T. Tang, J. M. Norbeck, and P. R. Certain, J. Chem. Phys. 64, 3063 (1976), and references therein.
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and references therein
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H. B. G. Casimir and D. Polder, Phys. Rev. 73, 360 (1948); K. T. Tang, J. M. Norbeck, and P. R. Certain, J. Chem. Phys. 64, 3063 (1976), and references therein.
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Certain, P.R.3
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26
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0342281602
-
-
note
-
10 smaller than the result in Eq. (3.10). This is in marked contrast to the case of the electric dipole polarizability where the results of the dispersion-force theory are of the same magnitude as those from the point-dipole model of collision-induced polarization.
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30
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4043171492
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and references therein
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K. T. Tang, J. P. Toennies, and C. L. Yiu, Phys. Rev. Lett. 74, 1546 (1995), and references therein.
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