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34547885970
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note
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More precisely, we have taken the difference between the RLSD and the LSD results reported in Table 3 of Ref. [11].
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34
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34547903720
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note
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Taking into account the relativistic effects self-consistently in the calculations produces only very small changes of the results. This can be verified in Ref. [11], where both results obtained by the method adopted in the present paper and by self-consistent relativistic calculations are reported. Furthermore, it should be noticed that the "relativistic effects" reported in Refs. [30,11] are merely the difference of the results obtained by a Dirac-like and a Schrödinger-like (HF or DFT) calculation. Relativistic effects on the electron-electron interaction are not accounted for.
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34547900872
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It should be noticed that the relativistic effects were not taken into account in Ref. [17].
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Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Scalmani G., Kudin K.N., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Li X., Hratchian H.P., Peralta J.E., Izmaylov A.F., Heyd J.J., Brothers E., Staroverov V., Zheng G., Kobayashi R., Normand J., Burant J.C., Millam J.M., Klene M., Knox J.E., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Chen W., Wong M.W., and Pople J.A. Gaussian Development Version, Revision F.01 (2006), Gaussian, Inc., Wallingford, CT
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Jaramillo, J.46
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Cammi, R.51
Pomelli, C.52
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Morokuma, K.55
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Salvador, P.57
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Zakrzewski, V.G.59
Dapprich, S.60
Daniels, A.D.61
Strain, M.C.62
Farkas, O.63
Malick, D.K.64
Rabuck, A.D.65
Raghavachari, K.66
Foresman, J.B.67
Ortiz, J.V.68
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Baboul, A.G.70
Clifford, S.71
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