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Volumn 126, Issue 11, 2007, Pages

Rotational fluctuation of molecules in quantum clusters. I. Path integral hybrid Monte Carlo algorithm

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DEGREES OF FREEDOM (MECHANICS); MONTE CARLO METHODS; QUANTUM THEORY; SOLVATION;

EID: 34047112947     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2713395     Document Type: Article
Times cited : (25)

References (60)
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    • D. M. Ceperley, Rev. Mod. Phys. 67, 279 (1995), and references therein.
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    • D. Marx and M. H. Müser, J. Phys.: Condens. Matter 11, R117 (1999), and references therein.
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    • edited by J. P. Hansen, D. Levesque, and J. Zinn-Justin Elsevier, Amsterdam
    • D. Chandler, in Liquids, Freezing, and Glass Transition, edited by J. P. Hansen, D. Levesque, and J. Zinn-Justin (Elsevier, Amsterdam, 1991).
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    • (s).
    • (s).
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    • corr}.
    • corr}.
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    • unpublished
    • S. Miura (unpublished).
    • Miura, S.1
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    • 34047139184 scopus 로고    scopus 로고
    • Preliminary calculations on the orientational con-elation function of the OCS molecule doped in Bose and Boltzmann clusters are presented in Ref. 25. Similar calculations on the CO2 doped helium clusters can be found in Ref. 27
    • 2 doped helium clusters can be found in Ref. 27.
  • 59
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    • When the indistinguishability of the nuclei involved in the rotation of a molecule is relevant, there is a possibility that the rotational density matrix has a negative value. See, discussion
    • When the indistinguishability of the nuclei involved in the rotation of a molecule is relevant, there is a possibility that the rotational density matrix has a negative value. See Ref. 32 for detailed discussion.
    • 32 for detailed
    • Ref1


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