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Volumn 75, Issue 16, 2007, Pages

Density matrix-based variational quantum Monte Carlo providing an asymptotically linear scaling behavior for the local energy

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EID: 34247100637     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.165107     Document Type: Article
Times cited : (12)

References (45)
  • 2
    • 0001701339 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(83)80703-9
    • P. Pulay, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(83)80703-9 100, 151 (1983).
    • (1983) Chem. Phys. Lett. , vol.100 , pp. 151
    • Pulay, P.1
  • 3
    • 0002342415 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(85)85003-X
    • S. Saebø and P. Pulay, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(85)85003-X 113, 13 (1985).
    • (1985) Chem. Phys. Lett. , vol.113 , pp. 13
    • Saebø, S.1    Pulay, P.2
  • 4
    • 0038034635 scopus 로고    scopus 로고
    • NIC Series, Vol. 2nd ed. edited by J. Grotendorst John von Neumann Institute for Computing, Jülich
    • P. Knowles, M. Schütz, and H. J. Werner, in Modern Methods and Algorithms of Quantum Chemistry, NIC Series, Vol. 3, 2nd ed., edited by, J. Grotendorst, (John von Neumann Institute for Computing, Jülich, 2000), pp. 97-197.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.3 , pp. 97-197
    • Knowles, P.1    Schütz, M.2    Werner, H.J.3
  • 5
    • 0032579071 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(97)01333-X
    • P. E. Maslen and M. Head-Gordon, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)01333-X 283, 102 (1998).
    • (1998) Chem. Phys. Lett. , vol.283 , pp. 102
    • Maslen, P.E.1    Head-Gordon, M.2
  • 6
    • 36449001643 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.462485
    • M. Häser and J. Almlöf, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462485 96, 489 (1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 489
    • Häser, M.1    Almlöf, J.2
  • 7
    • 0000277432 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.478256
    • P. Y. Ayala and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478256 110, 3660 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 3660
    • Ayala, P.Y.1    Scuseria, G.E.2
  • 10
  • 11
    • 4243772474 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.42.3503
    • S. Fahy, X. W. Wang, and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.3503 42, 3503 (1990).
    • (1990) Phys. Rev. B , vol.42 , pp. 3503
    • Fahy, S.1    Wang, X.W.2    Louie, S.G.3
  • 12
    • 0043268850 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1580474
    • S. Manten and A. Lüchow, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1580474 119, 1307 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 1307
    • Manten, S.1    Lüchow, A.2
  • 14
    • 20044382231 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.71.121105
    • F. A. Reboredo and A. J. Williamson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.121105 71, 121105 (R) (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 121105
    • Reboredo, F.A.1    Williamson, A.J.2
  • 15
    • 3042772951 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/16/25/L01
    • D. Alfé and M. J. Gillan, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/25/L01 16, L305 (2004).
    • (2004) J. Phys.: Condens. Matter , vol.16 , pp. 305
    • Alfé, D.1    Gillan, M.J.2
  • 17
    • 0001665402 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.458750
    • K. E. Schmidt and J. W. Moskowitz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458750 93, 4172 (1990).
    • (1990) J. Chem. Phys. , vol.93 , pp. 4172
    • Schmidt, K.E.1    Moskowitz, J.W.2
  • 19
    • 0033246389 scopus 로고    scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.71.1085
    • S. Goedecker, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.71.1085 71, 1085 (1999).
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 1085
    • Goedecker, S.1
  • 20
    • 35949007371 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.10891
    • X.-P. Li, R. W. Nunes, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.10891 47, 10891 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 10891
    • Li, X.-P.1    Nunes, R.W.2    Vanderbilt, D.3
  • 21
    • 0031591286 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(97)00402-8
    • C. Ochsenfeld and M. Head-Gordon, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00402-8 270, 399 (1997).
    • (1997) Chem. Phys. Lett. , vol.270 , pp. 399
    • Ochsenfeld, C.1    Head-Gordon, M.2
  • 22
    • 0011407476 scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.32.335
    • R. McWeeny, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.32.335 32, 335 (1960).
    • (1960) Rev. Mod. Phys. , vol.32 , pp. 335
    • McWeeny, R.1
  • 23
  • 25
    • 46549096170 scopus 로고
    • JCTPAH 0021-9991 10.1016/0021-9991(85)90002-6
    • L. Greengard and V. Rokhlin, J. Comput. Phys. JCTPAH 0021-9991 10.1016/0021-9991(85)90002-6 60, 187 (1990).
    • (1990) J. Comput. Phys. , vol.60 , pp. 187
    • Greengard, L.1    Rokhlin, V.2
  • 26
    • 0028021598 scopus 로고
    • SCIEAS 0036-8075 10.1126/science.265.5174.909
    • L. Greengard, Science SCIEAS 0036-8075 10.1126/science.265.5174.909 265, 909 (1994).
    • (1994) Science , vol.265 , pp. 909
    • Greengard, L.1
  • 27
    • 36449006535 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.468354
    • C. A. White and M. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468354 101, 6593 (1994).
    • (1994) J. Chem. Phys. , vol.101 , pp. 6593
    • White, C.A.1    Head-Gordon, M.2
  • 30
    • 0031591286 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(97)00402-8
    • C. Ochsenfeld and M. Head-Gordon, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00402-8 270, 399 (1997).
    • (1997) Chem. Phys. Lett. , vol.270 , pp. 399
    • Ochsenfeld, C.1    Head-Gordon, M.2
  • 32
    • 4043140349 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.76.3168
    • W. Kohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.3168 76, 3168 (1996).
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 3168
    • Kohn, W.1
  • 34
    • 0018011681 scopus 로고
    • ACMSCU 0098-3500 10.1145/355791.355796
    • F. G. Gustavson, ACM Trans. Math. Softw. ACMSCU 0098-3500 10.1145/355791.355796 4, 250 (1978).
    • (1978) ACM Trans. Math. Softw. , vol.4 , pp. 250
    • Gustavson, F.G.1
  • 36
    • 0031541111 scopus 로고    scopus 로고
    • SJMAEL 0895-4798 10.1137/S0895479894246905
    • T. A. Davies and I. S. Duff, SIAM J. Matrix Anal. Appl. SJMAEL 0895-4798 10.1137/S0895479894246905 18, 140 (1997).
    • (1997) SIAM J. Matrix Anal. Appl. , vol.18 , pp. 140
    • Davies, T.A.1    Duff, I.S.2
  • 38
    • 33746614482 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.456153
    • T. H. Dunning, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning, T.H.1
  • 43
    • 0037085203 scopus 로고    scopus 로고
    • CPCHFT 1439-4235 10.1002/1439-7641(20020215)3:2<207::AID-CPHC207>3. 0.CO;2-#
    • S. Grimme and C. Mück-Lichtenfeld, ChemPhysChem CPCHFT 1439-4235 10.1002/1439-7641(20020215)3:2<207::AID-CPHC207>3.0.CO;2-# 3, 207 (2002).
    • (2002) ChemPhysChem , vol.3 , pp. 207
    • Grimme, S.1    Mück-Lichtenfeld, C.2
  • 45
    • 0034299466 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1311288
    • M. Dewing, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1311288 113, 5123 (2000).
    • (2000) J. Chem. Phys. , vol.113 , pp. 5123
    • Dewing, M.1


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