메뉴 건너뛰기




Volumn 76, Issue 3, 2007, Pages

Decorrelation of samples in quantum Monte Carlo calculations and scaling of autocorrelation time in Li and H2 O clusters

Author keywords

[No Author keywords available]

Indexed keywords


EID: 34547137391     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.033412     Document Type: Article
Times cited : (1)

References (33)
  • 2
    • 0037869982 scopus 로고    scopus 로고
    • ARPLAP 0066-426X 10.1146/annurev.physchem.51.1.501
    • A. Luchow and J. B. Anderson, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 10.1146/annurev.physchem.51.1.501 51, 501 (2000).
    • (2000) Annu. Rev. Phys. Chem. , vol.51 , pp. 501
    • Luchow, A.1    Anderson, J.B.2
  • 5
    • 0001718549 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.480839
    • X. Lin, H. Zhang, and A. M. Rappe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480839 112, 2650 (2000).
    • (2000) J. Chem. Phys. , vol.112 , pp. 2650
    • Lin, X.1    Zhang, H.2    Rappe, A.M.3
  • 7
    • 28244492733 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.71.241103
    • S. Sorella, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.241103 71, 241103 (R) (2005);
    • (2005) Phys. Rev. B , vol.71 , pp. 241103
    • Sorella, S.1
  • 8
    • 0142020915 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1604379
    • M. Casula and S. Sorella, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1604379 119, 6500 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 6500
    • Casula, M.1    Sorella, S.2
  • 9
    • 18244367393 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.94.150201
    • C. J. Umrigar and C. Filippi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.150201 94, 150201 (2005).
    • (2005) Phys. Rev. Lett. , vol.94 , pp. 150201
    • Umrigar, C.J.1    Filippi, C.2
  • 10
    • 11944263458 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.71.408
    • C. J. Umrigar, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71. 408 71, 408 (1993).
    • (1993) Phys. Rev. Lett. , vol.71 , pp. 408
    • Umrigar, C.J.1
  • 12
    • 51249176421 scopus 로고
    • JSTPBS 0022-4715 10.1007/BF01020576
    • D. M. Ceperley, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01020576 43, 815 (1986).
    • (1986) J. Stat. Phys. , vol.43 , pp. 815
    • Ceperley, D.M.1
  • 17
    • 34547094231 scopus 로고    scopus 로고
    • http://sourceforge.net/projects/qmcbeaver
  • 18
    • 33750481509 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1672907
    • R. Friedberg and J. E. Cameron, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1672907 52, 6049 (1970).
    • (1970) J. Chem. Phys. , vol.52 , pp. 6049
    • Friedberg, R.1    Cameron, J.E.2
  • 21
    • 34547104720 scopus 로고    scopus 로고
    • Ph.D. thesis, California Institute of Technology
    • D. R. Kent, Ph.D. thesis, California Institute of Technology, 2003.
    • (2003)
    • Kent, D.R.1
  • 22
    • 36549102647 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.457480
    • H. Flyvbjerg and H. G. Petersen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.457480 91, 461 (1989).
    • (1989) J. Chem. Phys. , vol.91 , pp. 461
    • Flyvbjerg, H.1    Petersen, H.G.2
  • 23
    • 4243809744 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.80.2574
    • R. Rousseau and D. Marx, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2574 80, 2574 (1998).
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 2574
    • Rousseau, R.1    Marx, D.2
  • 24
    • 0034683122 scopus 로고    scopus 로고
    • CEUJED 0947-6539 10.1002/1521-3765(20000818)6:16<2982::AID- CHEM2982>3.0.CO;2-S
    • R. Rousseau and D. Marx, Chem.-Eur. J. CEUJED 0947-6539 10.1002/1521-3765(20000818)6:16<2982::AID-CHEM2982>3.0.CO;2-S 6, 2982 (2000).
    • (2000) Chem.-Eur. J. , vol.6 , pp. 2982
    • Rousseau, R.1    Marx, D.2
  • 25
    • 34547120329 scopus 로고    scopus 로고
    • JAGUAR 4.0
    • JAGUAR 4.0, Schrödinger, Inc., Portland, OR.
    • Schrödinger1
  • 26
    • 34547105917 scopus 로고    scopus 로고
    • This run was performed on a Xeon EMT 64 3.0 GHz processor.
    • This run was performed on a Xeon EMT 64 3.0 GHz processor.
  • 27
    • 34547104956 scopus 로고    scopus 로고
    • The geometry of H2 O clusters can be found at
    • The geometry of H2 O clusters can be found at http://www-wales.ch.cam.ac. uk/~wales/CCD/TIP4P-water.html
  • 30
    • 34547130705 scopus 로고    scopus 로고
    • NIC Series Vol. edited by J. Grotendorst, D. Marx, and A. Muramatsu (John von Neumann Institute for Computing, Jülich
    • S. Baroni and S. Moroni, in Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, NIC Series Vol. 10, edited by, J. Grotendorst,,, D. Marx,, and, A. Muramatsu, (John von Neumann Institute for Computing, Jülich, 2002), p. 75.
    • (2002) Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms , vol.10 , pp. 75
    • Baroni, S.1    Moroni, S.2
  • 31
    • 34547093059 scopus 로고    scopus 로고
    • arXiv:math.NA/0611285, J. Complex. (to be published).
    • P. Mathé and E. Novak, arXiv:math.NA/0611285, J. Complex. (to be published).
    • Mathé, P.1    Novak, E.2
  • 33
    • 84923580037 scopus 로고    scopus 로고
    • The total energy E is somewhat insensitive to the nodal structure of the wave function; see, e.g., Cambridge University Press, Cambridge
    • The total energy E is somewhat insensitive to the nodal structure of the wave function; see, e.g., G. F. Giuliani and G. Vignale, Quantum Theory of Electronic Liquids (Cambridge University Press, Cambridge, 2005).
    • (2005) Quantum Theory of Electronic Liquids
    • Giuliani, G.F.1    Vignale, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.