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Volumn 78, Issue 18, 2008, Pages

Density functional theory of the structure of magnesium-doped helium nanodroplets

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Indexed keywords


EID: 57349127286     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.184515     Document Type: Article
Times cited : (54)

References (60)
  • 2
    • 57349196912 scopus 로고    scopus 로고
    • XXII International Symposium on Molecular Beams (University of Freiburg, Freiburg, Germany
    • M. Elhiyani and M. Lewerenz, XXII International Symposium on Molecular Beams (University of Freiburg, Freiburg, Germany, 2007).
    • (2007)
    • Elhiyani, M.1    Lewerenz, M.2
  • 3
    • 57349195388 scopus 로고    scopus 로고
    • 16th Symposium on Atomic and Surface Physics and Related Topics (Innsbruck University Press, Innsbruck, Austria
    • M. Elhiyani and M. Lewerenz, 16th Symposium on Atomic and Surface Physics and Related Topics (Innsbruck University Press, Innsbruck, Austria, 2008).
    • (2008)
    • Elhiyani, M.1    Lewerenz, M.2
  • 9
    • 35248838418 scopus 로고    scopus 로고
    • 10.1103/PhysRevA.76.043204
    • Y. Ren and V. V. Kresin, Phys. Rev. A 76, 043204 (2007). 10.1103/PhysRevA.76.043204
    • (2007) Phys. Rev. a , vol.76 , pp. 043204
    • Ren, Y.1    Kresin, V.V.2
  • 21
    • 0042163107 scopus 로고    scopus 로고
    • 10.1088/0953-4075/36/14/313
    • R. J. Hinde, J. Phys. B 36, 3119 (2003). 10.1088/0953-4075/36/14/313
    • (2003) J. Phys. B , vol.36 , pp. 3119
    • Hinde, R.J.1
  • 24
    • 36849135354 scopus 로고
    • 10.1063/1.1700283
    • M. Lax, J. Chem. Phys. 20, 1752 (1952). 10.1063/1.1700283
    • (1952) J. Chem. Phys. , vol.20 , pp. 1752
    • Lax, M.1
  • 25
    • 33947483877 scopus 로고
    • 10.1021/ja00905a002
    • F. O. Ellison, J. Am. Chem. Soc. 85, 3540 (1963). 10.1021/ja00905a002
    • (1963) J. Am. Chem. Soc. , vol.85 , pp. 3540
    • Ellison, F.O.1
  • 28
    • 57349094187 scopus 로고    scopus 로고
    • We have corrected here an obvious error made in Ref..
    • We have corrected here an obvious error made in Ref..
  • 31
    • 57349144180 scopus 로고    scopus 로고
    • The locations of the two components of the broad line in liquid helium and in drops are sensibly the same, whereas the relative intensities of the components seem as exchanged.
    • The locations of the two components of the broad line in liquid helium and in drops are sensibly the same, whereas the relative intensities of the components seem as exchanged.
  • 34
    • 21644433354 scopus 로고    scopus 로고
    • 10.1140/epjd/e2005-00047-3
    • Y. Moriwaki and N. Morita, Eur. Phys. J. D 33, 323 (2005). 10.1140/epjd/e2005-00047-3
    • (2005) Eur. Phys. J. D , vol.33 , pp. 323
    • Moriwaki, Y.1    Morita, N.2
  • 37
    • 2942606685 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.92.173401
    • K. K. Lehmann and A. M. Dokter, Phys. Rev. Lett. 92, 173401 (2004). 10.1103/PhysRevLett.92.173401
    • (2004) Phys. Rev. Lett. , vol.92 , pp. 173401
    • Lehmann, K.K.1    Dokter, A.M.2
  • 38
    • 57349133361 scopus 로고    scopus 로고
    • Since the hydrodynamic mass depends on R, we have computed w (R) using several M* values between M* =40 a.u., which corresponds to the mass in the bulk liquid, and the free Mg mass M* =24 a.u. This yields the band of w (R) values displayed in the figure.
    • Since the hydrodynamic mass depends on R, we have computed w (R) using several M* values between M* =40 a.u., which corresponds to the mass in the bulk liquid, and the free Mg mass M* =24 a.u. This yields the band of w (R) values displayed in the figure.
  • 39
    • 57349141163 scopus 로고    scopus 로고
    • The mean value 〈L2〉 is calculated as Q-1 Tr (L2 e-H/ kB T) = Q-1 ∑nℓ ℓ (ℓ+1) (2ℓ+1) e- Enℓ / kB T in the quantal approach and as Q-1 ∫0∞ dR R2 ∑ ℓ (ℓ+1) (2ℓ+1) e- Veff (R) / kB T in the semiclassical approach.
    • The mean value 〈L2〉 is calculated as Q-1 Tr (L2 e-H/ kB T) = Q-1 ∑nℓ ℓ (ℓ+1) (2ℓ+1) e- Enℓ / kB T in the quantal approach and as Q-1 ∫0∞ dR R2 ∑ ℓ (ℓ+1) (2ℓ+1) e- Veff (R) / kB T in the semiclassical approach.
  • 43
    • 4243460158 scopus 로고
    • 10.1103/PhysRev.176.337
    • W. B. Fowler and D. L. Dexter, Phys. Rev. 176, 337 (1968). 10.1103/PhysRev.176.337
    • (1968) Phys. Rev. , vol.176 , pp. 337
    • Fowler, W.B.1    Dexter, D.L.2
  • 44
    • 57349177387 scopus 로고
    • 10.1088/0953-4075/25/15/017
    • H. Guérin, J. Phys. B 25, 3371 (1992). 10.1088/0953-4075/25/15/017
    • (1992) J. Phys. B , vol.25 , pp. 3371
    • Guérin, H.1
  • 45
    • 34250804407 scopus 로고
    • 10.1088/0022-3719/6/1/003
    • M. J. Renne and B. R. A. Nijboer, J. Phys. C 6, L10 (1973). 10.1088/0022-3719/6/1/003
    • (1973) J. Phys. C , vol.6 , pp. 10
    • Renne, M.J.1    Nijboer, B.R.A.2
  • 49
    • 22544447539 scopus 로고    scopus 로고
    • 10.1063/1.1808152
    • E. B. Gordon, Low Temp. Phys. 30, 756 (2004). 10.1063/1.1808152
    • (2004) Low Temp. Phys. , vol.30 , pp. 756
    • Gordon, E.B.1
  • 50
    • 41549163909 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.134301
    • J. Eloranta, Phys. Rev. B 77, 134301 (2008). 10.1103/PhysRevB.77.134301
    • (2008) Phys. Rev. B , vol.77 , pp. 134301
    • Eloranta, J.1
  • 51
    • 57349103817 scopus 로고    scopus 로고
    • We note at this point that a quantitative estimation of the energy barrier height temporarily preventing the collapse of two Mg atoms into a dimer is made difficult by the fact that its actual value is determined by a delicate balance between the Mg-He interactions and the long-range part of the Mg-Mg interaction in vacuum, which is affected by some uncertainty (see Refs.). Any small difference in the van der Waals tail of the Mg-Mg interaction at distances of ∼9-10 Å would result in a large change in the estimated barrier height. Moreover, we want also to stress the difficulty of estimating the attempting frequency [inverse of the prefactor multiplying the exponential in Eq. 20], in view of the kind of configurations appearing in this problem; see, e.g., Fig. 9.
    • We note at this point that a quantitative estimation of the energy barrier height temporarily preventing the collapse of two Mg atoms into a dimer is made difficult by the fact that its actual value is determined by a delicate balance between the Mg-He interactions and the long-range part of the Mg-Mg interaction in vacuum, which is affected by some uncertainty (see Refs.). Any small difference in the van der Waals tail of the Mg-Mg interaction at distances of ∼9-10 Å would result in a large change in the estimated barrier height. Moreover, we want also to stress the difficulty of estimating the attempting frequency [inverse of the prefactor multiplying the exponential in Eq. 20], in view of the kind of configurations appearing in this problem; see, e.g., Fig. 9.
  • 53
    • 0033465541 scopus 로고    scopus 로고
    • 10.1143/JPSJ.68.2153
    • S. Ogata, J. Phys. Soc. Jpn. 68, 2153 (1999). 10.1143/JPSJ.68.2153
    • (1999) J. Phys. Soc. Jpn. , vol.68 , pp. 2153
    • Ogata, S.1
  • 58
    • 0037041091 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.88.145301
    • K. K. Lehmann, Phys. Rev. Lett. 88, 145301 (2002). 10.1103/PhysRevLett. 88.145301
    • (2002) Phys. Rev. Lett. , vol.88 , pp. 145301
    • Lehmann, K.K.1


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