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Volumn 87, Issue 4, 2013, Pages

Optimal calculation of the pair correlation function for an orthorhombic system

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSED LIQUID; OPTIMAL CALCULATIONS; ORTHORHOMBIC SYSTEMS; PAIR CORRELATION FUNCTIONS; RADIAL DISTRIBUTION FUNCTIONS;

EID: 84876728708     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.87.045301     Document Type: Article
Times cited : (18)

References (31)
  • 1
    • 0031191923 scopus 로고    scopus 로고
    • ACISB9 0001-8686 10.1016/S0001-8686(97)00312-6
    • J. S. Pedersen, Adv. Colloid Interface Sci. ACISB9 0001-8686 10.1016/S0001-8686(97)00312-6 70, 171 (1997).
    • (1997) Adv. Colloid Interface Sci. , vol.70 , pp. 171
    • Pedersen, J.S.1
  • 2
    • 42949139280 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/19/41/415108
    • A. K. Soper, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/41/415108 19, 415108 (2007).
    • (2007) J. Phys.: Condens. Matter , vol.19 , pp. 415108
    • Soper, A.K.1
  • 3
    • 4243606192 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
    • R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 4
    • 33846891132 scopus 로고    scopus 로고
    • Efficient and accurate car-parrinello-like approach to born-oppenheimer molecular dynamics
    • DOI 10.1103/PhysRevLett.98.066401
    • T. D. Kühne, M. Krack, F. R. Mohamed, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.066401 98, 066401 (2007). (Pubitemid 46220444)
    • (2007) Physical Review Letters , vol.98 , Issue.6 , pp. 066401
    • Kuhne, T.D.1    Krack, M.2    Mohamed, F.R.3    Parrinello, M.4
  • 6
    • 84876710840 scopus 로고    scopus 로고
    • (unpublished).
    • M. Deserno (unpublished).
    • Deserno, M.1
  • 7
  • 9
    • 35548995391 scopus 로고    scopus 로고
    • Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials
    • DOI 10.1063/1.2801626
    • S. Caravati, M. Bernasconi, T. D. Kühne, M. Krack, and M. Parrinello, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2801626 91, 171906 (2007); (Pubitemid 350015222)
    • (2007) Applied Physics Letters , vol.91 , Issue.17 , pp. 171906
    • Caravati, S.1    Bernasconi, M.2    Kuhne, T.D.3    Krack, M.4    Parrinello, M.5
  • 15
  • 25
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
    • DOI 10.1063/1.2770708
    • J. VandeVondele and J. Hutter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2770708 127, 114105 (2007). (Pubitemid 47461992)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.11 , pp. 114105
    • VandeVondele, J.1    Hutter, J.2
  • 26
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 27
    • 0000160164 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.1703
    • S. Goedecker, M. Teter, and J. Hutter, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.1703 54, 1703 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 1703
    • Goedecker, S.1    Teter, M.2    Hutter, J.3
  • 28
    • 25144446255 scopus 로고    scopus 로고
    • Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
    • DOI 10.1007/s00214-005-0655-y
    • M. Krack, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0655-y 114, 145 (2005). (Pubitemid 41355884)
    • (2005) Theoretical Chemistry Accounts , vol.114 , Issue.1-3 , pp. 145-152
    • Krack, M.1
  • 29
    • 0029663179 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.273.5277.936
    • W. J. Nellis, S. T. Weir, and A. C. Mitchell, Science SCIEAS 0036-8075 10.1126/science.273.5277.936 273, 936 (1996).
    • (1996) Science , vol.273 , pp. 936
    • Nellis, W.J.1    Weir, S.T.2    Mitchell, A.C.3
  • 30
  • 31
    • 4243777415 scopus 로고
    • ZPCMDN 0722-3277 10.1007/BF01293604
    • K. Binder, Z. Phys. B ZPCMDN 0722-3277 10.1007/BF01293604 43, 119 (1981).
    • (1981) Z. Phys. B , vol.43 , pp. 119
    • Binder, K.1


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