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Volumn 132, Issue 5, 2010, Pages

Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION EFFECT; LOCAL ENERGY; NONRELATIVISTIC; QMC METHOD; QUANTUM MONTE CARLO; QUANTUM MONTE CARLO METHODS; RELATIVISTIC EFFECTS; VARIATIONAL MONTE CARLO; ZEROTH-ORDER REGULAR APPROXIMATIONS;

EID: 76349086068     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3298912     Document Type: Article
Times cited : (13)

References (33)
  • 4
    • 33744691386 scopus 로고
    • 0031-9007. 10.1103/PhysRevLett.45.566
    • D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 0031-9007 45, 566 (1980). 10.1103/PhysRevLett.45.566
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 10
    • 18744379498 scopus 로고    scopus 로고
    • 0021-9606. 10.1063/1.1888569
    • J. R. Trail and R. J. Needs, J. Chem. Phys. 0021-9606 122, 174109 (2005). 10.1063/1.1888569
    • (2005) J. Chem. Phys. , vol.122 , pp. 174109
    • Trail, J.R.1    Needs, R.J.2
  • 11
    • 24944484558 scopus 로고    scopus 로고
    • Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom
    • DOI 10.1063/1.2011393, 094102
    • M. Caffarel, J. -P. Daudey, J. -L. Heully, and A. Ramírez- Solís, J. Chem. Phys. 0021-9606 123, 094102 (2005). 10.1063/1.2011393 (Pubitemid 41329930)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.9 , pp. 1-8
    • Caffarel, M.1    Daudey, J.-P.2    Heully, J.-L.3    Ramirez-Solis, A.4
  • 12
    • 4544277535 scopus 로고
    • 1050-2947. 10.1103/PhysRevA.44.R2765
    • G. Aissing, Phys. Rev. A 1050-2947 44, R2765 (1991). 10.1103/PhysRevA.44. R2765
    • (1991) Phys. Rev. A , vol.44 , pp. 2765
    • Aissing, G.1
  • 13
    • 0022810794 scopus 로고
    • 0031-8949. 10.1088/0031-8949/34/5/007
    • Ch. Chang, M. Pelissier, and Ph. Durand, Phys. Scr. 0031-8949 34, 394 (1986). 10.1088/0031-8949/34/5/007
    • (1986) Phys. Scr. , vol.34 , pp. 394
    • Chang, Ch.1    Pelissier, M.2    Durand, Ph.3
  • 16
    • 36149021666 scopus 로고
    • 0096-8250. 10.1103/PhysRev.98.1479
    • R. Jastrow, Phys. Rev. 0096-8250 98, 1479 (1955). 10.1103/PhysRev.98.1479
    • (1955) Phys. Rev. , vol.98 , pp. 1479
    • Jastrow, R.1
  • 21
    • 0035828316 scopus 로고    scopus 로고
    • Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas-Kroll approximation
    • DOI 10.1063/1.1390515
    • T. Tsuchiya, M. Abe, T. Nakajima, and K. Hirao, J. Chem. Phys. 0021-9606 115, 4463 (2001). 10.1063/1.1390515 (Pubitemid 32902697)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.10 , pp. 4463-4472
    • Tsuchiya, T.1    Abe, M.2    Nakajima, T.3    Hirao, K.4
  • 23
    • 0001070592 scopus 로고    scopus 로고
    • 0026-8976. 10.1080/00268979809482363
    • N. C. Handy and D. J. Tozer, Mol. Phys. 0026-8976 94, 707 (1998). 10.1080/00268979809482363
    • (1998) Mol. Phys. , vol.94 , pp. 707
    • Handy, N.C.1    Tozer, D.J.2
  • 29
    • 34247100637 scopus 로고    scopus 로고
    • 0163-1829. 10.1103/PhysRevB.75.165107
    • J. Kussmann, H. Riede, and C. Ochsenfeld, Phys. Rev. B 0163-1829 75, 165107 (2007). 10.1103/PhysRevB.75.165107
    • (2007) Phys. Rev. B , vol.75 , pp. 165107
    • Kussmann, J.1    Riede, H.2    Ochsenfeld, C.3
  • 30
    • 26544478463 scopus 로고
    • 1050-2947. 10.1103/PhysRevA.33.3742
    • B. A. Hess, Phys. Rev. A 1050-2947 33, 3742 (1986). 10.1103/PhysRevA.33. 3742
    • (1986) Phys. Rev. A , vol.33 , pp. 3742
    • Hess, B.A.1
  • 31
    • 0034321295 scopus 로고    scopus 로고
    • Higher-order Douglas-Kroll transformation
    • DOI 10.1063/1.1316037
    • T. Nakajima and K. Hirao, J. Chem. Phys. 0021-9606 113, 7786 (2000). 10.1063/1.1316037 (Pubitemid 32023174)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.18 , pp. 7786-7789
    • Nakajima, T.1    Hirao, K.2
  • 32
    • 0000658362 scopus 로고    scopus 로고
    • 0009-2614. 10.1016/S0009-2614(99)00150-5
    • T. Nakajima and K. Hirao, Chem. Phys. Lett. 0009-2614 302, 383 (1999). 10.1016/S0009-2614(99)00150-5
    • (1999) Chem. Phys. Lett. , vol.302 , pp. 383
    • Nakajima, T.1    Hirao, K.2
  • 33
    • 0002596373 scopus 로고
    • 0301-0104. 10.1016/0301-0104(84)80001-4
    • R. J. Buenker, P. Chandra, and B. A. Hess, Chem. Phys. 0301-0104 84, 1 (1984). 10.1016/0301-0104(84)80001-4
    • (1984) Chem. Phys. , vol.84 , pp. 1
    • Buenker, R.J.1    Chandra, P.2    Hess, B.A.3


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