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2
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0000029348
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0000128817
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rare gas dimers
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D. C. Patton, D. V. Porezag, and M. R. Pedersen, Phys. Rev. B 55, 7454 (1997); D. C. Patton and M. R. Pedersen, Phys. Rev. A 56, R2495 (1997) [rare gas dimers].
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16
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18
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semi-empirical calculations
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See, for example, J. Bicerano and H. A. Clark, Macromolecules 21, 585, 597 (1988) [semi-empirical calculations]; B. C. Laskowski, D. Y. Yoon, D. McLean, R. L. Yaffe, ibid. 21, 1629 (1988) [Hartree-Fock calculations on diphenyl carbonate and diphenylpropane].
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Clark, H.A.2
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19
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0024032336
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See, for example, J. Bicerano and H. A. Clark, Macromolecules 21, 585, 597 (1988) [semi-empirical calculations]; B. C. Laskowski, D. Y. Yoon, D. McLean, R. L. Yaffe, ibid. 21, 1629 (1988) [Hartree-Fock calculations on diphenyl carbonate and diphenylpropane].
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Macromolecules
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Laskowski, B.C.1
Yoon, D.Y.2
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N. Troullier and J. M. Martins, Phys. Rev. B 43, 1993 (1991). Pseudopotentials are derived for each xc-functional from atomic computations using the same approximation.
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Martins, J.M.2
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24
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MPI für Festkörperforschung and IBM Research 1990-97
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CPMD program version 3.0, J. Hutter et al., MPI für Festkörperforschung and IBM Research 1990-97.
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CPMD Program Version 3.0
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Hutter, J.1
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