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Volumn 60, Issue 4, 1999, Pages 2822-2828

Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119

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EID: 0000756970     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.60.2822     Document Type: Article
Times cited : (75)

References (56)
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    • J. Chem. Phys.C. Hättig and B. A. Heß, 108, 3863 (1998)
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    • Hättig, C.1    Heß, B.A.2
  • 9
    • 85037206288 scopus 로고    scopus 로고
    • We only cite all-electron correlated results. For a complete review of the calculations of dipole polarizabilities from He to Kr, see Stiehler and Hinze (Ref
    • We only cite all-electron correlated results. For a complete review of the calculations of dipole polarizabilities from He to Kr, see Stiehler and Hinze (Ref. 8).
  • 29
    • 85037205093 scopus 로고    scopus 로고
    • If we apply the Kuhn-Thomas sum formula and assume that the group-1 elements are almost ideal one-electron systems we obtain for the most intense transition (Formula presented) In this case we obtain (Formula presented) if (Formula presented)
    • If we apply the Kuhn-Thomas sum formula and assume that the group-1 elements are almost ideal one-electron systems we obtain for the most intense transition (Formula presented) In this case we obtain (Formula presented) if (Formula presented)
  • 42
    • 85037213628 scopus 로고    scopus 로고
    • The exponents for element 119 are as follows: s 113 229 350.0, 16 831 361.0, 3 771 912.2, 1 041 189.6, 327 722.25, 113 402.95, 42 347.849, 16 891.594, 7145.1207, 3181.2041, 1468.4887, 630.497 13, 326.049 66, 170.984 92, 84.216 002, 45.852 889, 20.197 592, 11.062 922, 5.056 527, 2.114 459, 1.094 835, 0.266 200, 0.136 632, 0.038 341, 0.013 317, 0.004 625, 0.001 607; p 541 882.88, 127 394.48, 40 780.984, 15 239.962, 6271.5308, 2764.7272, 1286.8862, 626.182 13, 315.570 72, 160.473 49, 85.590 452, 45.795 617, 24.794 538, 13.489 897, 7.083 073, 3.768 500, 1.757 359, 0.856 462, 0.291 227, 0.112 721, 0.043 629, 0.016 887; d 20 028.631, 6100.9925, 2346.8945, 1026.1066, 484.590 10, 241.441 57, 124.720 97, 65.683 243, 34.498 319, 18.488 560, 9.561 741, 4.899 768, 2.315 721, 1.094 847, 0.459 892, 0.193 178, 0.081 145; f 1822.7589, 635.644 32, 271.438 95, 127.495 42, 63.190 561, 32.082 788, 16.446 747, 8.322 981, 4.077 396, 1.834 847, 0.825 690
    • The exponents for element 119 are as follows: s 113 229 350.0, 16 831 361.0, 3 771 912.2, 1 041 189.6, 327 722.25, 113 402.95, 42 347.849, 16 891.594, 7145.1207, 3181.2041, 1468.4887, 630.497 13, 326.049 66, 170.984 92, 84.216 002, 45.852 889, 20.197 592, 11.062 922, 5.056 527, 2.114 459, 1.094 835, 0.266 200, 0.136 632, 0.038 341, 0.013 317, 0.004 625, 0.001 607; p 541 882.88, 127 394.48, 40 780.984, 15 239.962, 6271.5308, 2764.7272, 1286.8862, 626.182 13, 315.570 72, 160.473 49, 85.590 452, 45.795 617, 24.794 538, 13.489 897, 7.083 073, 3.768 500, 1.757 359, 0.856 462, 0.291 227, 0.112 721, 0.043 629, 0.016 887; d 20 028.631, 6100.9925, 2346.8945, 1026.1066, 484.590 10, 241.441 57, 124.720 97, 65.683 243, 34.498 319, 18.488 560, 9.561 741, 4.899 768, 2.315 721, 1.094 847, 0.459 892, 0.193 178, 0.081 145; f 1822.7589, 635.644 32, 271.438 95, 127.495 42, 63.190 561, 32.082 788, 16.446 747, 8.322 981, 4.077 396, 1.834 847, 0.825 690.
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    • T. Saue, T. Enevoldsen, T. Helgaker, H. J. Aa. Jensen, J. K. Laerdahl, K. Ruud, J. Thyssen, and L. Visscher, Program DIRAC (Odense University, Denmark, 1998); see also: http://dirac.chem.ou.dk/Dirac
    • T. Saue, T. Enevoldsen, T. Helgaker, H. J. Aa. Jensen, J. K. Laerdahl, K. Ruud, J. Thyssen, and L. Visscher, Program DIRAC (Odense University, Denmark, 1998); see also: http://dirac.chem.ou.dk/Dirac;
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    • M. Urban, P. Neogrady, and I. Hubac, in Recent Advances in Coupled Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997); pp. 275–306
    • P. Neogrady and M. Urban, Int. J. Quantum Chem. 55, 187 (1995);M. Urban, P. Neogrady, and I. Hubac, in Recent Advances in Coupled Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997); pp. 275–306;
    • (1995) Int. J. Quantum Chem. , vol.55 , pp. 187
    • Neogrady, P.1    Urban, M.2
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    • J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. L. Lauderdale, S. R. Gwaltney, S. Beck, A. Balková, D. E. Bernholdt, K.-K. Baeck, H. Sekino, and R. J. Bartlett, Program ACESII (University of Florida, Gainesville, 1995)
    • J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. L. Lauderdale, S. R. Gwaltney, S. Beck, A. Balková, D. E. Bernholdt, K.-K. Baeck, H. Sekino, and R. J. Bartlett, Program ACESII (University of Florida, Gainesville, 1995).


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