메뉴 건너뛰기




Volumn 104, Issue 19, 2010, Pages

Systematic reduction of sign errors in many-body calculations of atoms and molecules

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTIONS; DEGREES OF FREEDOM; DIFFUSION MONTE CARLO; ENERGY MINIMIZATION; FERMION-SIGN PROBLEM; GROUND STATE WAVEFUNCTIONS; LINEAR SCALING METHOD; MANY-BODY CALCULATIONS; NODAL SURFACE; OXYGEN ATOM; RANDOM COEFFICIENTS; ROBUST METHODS; SELF-HEALING;

EID: 77952337037     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.104.193001     Document Type: Article
Times cited : (29)

References (20)
  • 3
    • 0001075041 scopus 로고
    • JSTPSB 0022-4715 10.1007/BF01030009
    • D.M. Ceperley, J. Stat. Phys. 63, 1237 (1991). JSTPSB 0022-4715 10.1007/BF01030009
    • (1991) J. Stat. Phys. , vol.63 , pp. 1237
    • Ceperley, D.M.1
  • 4
    • 27144455719 scopus 로고    scopus 로고
    • Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations
    • DOI 10.1103/PhysRevLett.94.170201, 170201
    • M. Troyer and U.J. Wiese, Phys. Rev. Lett. 94, 170201 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.170201 (Pubitemid 41492234)
    • (2005) Physical Review Letters , vol.94 , Issue.17 , pp. 1-4
    • Troyer, M.1    Wiese, U.-J.2
  • 5
    • 33744691386 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
    • D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 6
    • 84987157247 scopus 로고
    • IJQCB2 0020-7608 10.1002/qua.560150111
    • J.B. Anderson, Int. J. Quantum Chem. 15, 109 (1979). IJQCB2 0020-7608 10.1002/qua.560150111
    • (1979) Int. J. Quantum Chem. , vol.15 , pp. 109
    • Anderson, J.B.1
  • 8
    • 67649133365 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.195117
    • F.A. Reboredo, R.Q. Hood, and P.R.C. Kent, Phys. Rev. B PRBMDO 1098-0121 79, 195117 (2009). 10.1103/PhysRevB.79.195117
    • (2009) Phys. Rev. B , vol.79 , pp. 195117
    • Reboredo, F.A.1    Hood, R.Q.2    Kent, P.R.C.3
  • 9
    • 70350638955 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.125110
    • F.A. Reboredo, Phys. Rev. B PRBMDO 1098-0121 80, 125110 (2009). 10.1103/PhysRevB.80.125110
    • (2009) Phys. Rev. B , vol.80 , pp. 125110
    • Reboredo, F.A.1
  • 10
    • 18244367393 scopus 로고    scopus 로고
    • Energy and variance optimization of many-body wave functions
    • DOI 10.1103/PhysRevLett.94.150201, 150201
    • C.J. Umrigar and C. Filippi, Phys. Rev. Lett. 94, 150201 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.150201 (Pubitemid 40629839)
    • (2005) Physical Review Letters , vol.94 , Issue.15 , pp. 1-4
    • Umrigar, C.J.1    Filippi, C.2
  • 11
    • 33947227272 scopus 로고    scopus 로고
    • Alleviation of the fermion-sign problem by optimization of many-body wave functions
    • DOI 10.1103/PhysRevLett.98.110201
    • C.J. Umrigar, J. Toulouse, C. Filippi, S. Sorella, and R.G. Hennig, Phys. Rev. Lett. 98, 110201 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.98.110201 (Pubitemid 46434400)
    • (2007) Physical Review Letters , vol.98 , Issue.11 , pp. 110201
    • Umrigar, C.J.1    Toulouse, J.2    Filippi, C.3    Sorella, S.4    Hennig, R.G.5
  • 12
    • 77952329006 scopus 로고    scopus 로고
    • (private communication).
    • C. Umrigar (private communication).
    • Umrigar, C.1
  • 13
    • 34547370584 scopus 로고    scopus 로고
    • Energy-consistent pseudopotentials for quantum Monte Carlo calculations
    • DOI 10.1063/1.2741534
    • M. Burkatzki, C. Filippi, and M. Dolg, J. Chem. Phys. 126, 234105 (2007). JCPSA6 0021-9606 10.1063/1.2741534 (Pubitemid 47141464)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.23 , pp. 234105
    • Burkatzki, M.1    Filippi, C.2    Dolg, M.3
  • 14
    • 84893169025 scopus 로고
    • JCCHDD 0192-8651 10.1002/jcc.540141112
    • M.W. Schmidt, J. Comput. Chem. 14, 1347 (1993). JCCHDD 0192-8651 10.1002/jcc.540141112
    • (1993) J. Comput. Chem. , vol.14 , pp. 1347
    • Schmidt, M.W.1
  • 15
    • 62049084720 scopus 로고    scopus 로고
    • JCTPAH 0021-9991 10.1016/j.jcp.2009.01.017
    • L.K. Wagner, M. Bajdich, and L. Mitas, J. Comput. Phys. JCTPAH 0021-9991 228, 3390 (2009). 10.1016/j.jcp.2009.01.017
    • (2009) J. Comput. Phys. , vol.228 , pp. 3390
    • Wagner, L.K.1    Bajdich, M.2    Mitas, L.3
  • 16
    • 20844458912 scopus 로고    scopus 로고
    • Correlation energy extrapolation by intrinsic scaling. IV. Accurate binding energies of the homonuclear diatomic molecules carbon, nitrogen, oxygen, and fluorine
    • DOI 10.1063/1.1869493, 154110
    • L. Bytautas and K. Ruedenberg, J. Chem. Phys. 122, 154110 (2005). JCPSA6 0021-9606 10.1063/1.1869493 (Pubitemid 40858257)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.15 , pp. 1-21
    • Bytautas, L.1    Ruedenberg, K.2
  • 19
    • 33750472998 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.74.161102These configurations are not enough for Nb=100.
    • M. Casula, Phys. Rev. B PRBMDO 1098-0121 74, 161102(R) (2006). 10.1103/PhysRevB.74.161102
    • (2006) Phys. Rev. B , vol.74
    • Casula, M.1
  • 20
    • 66749192634 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3142703
    • P.K.V.V. Nukala and P.R.C. Kent, J. Chem. Phys. 130, 204105 (2009). JCPSA6 0021-9606 10.1063/1.3142703
    • (2009) J. Chem. Phys. , vol.130 , pp. 204105
    • Nukala, P.K.V.V.1    Kent, P.R.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.