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Volumn 80, Issue 12, 2009, Pages

Systematic reduction of sign errors in many-body problems: Generalization of self-healing diffusion Monte Carlo to excited states

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EID: 70350638955     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.125110     Document Type: Article
Times cited : (9)

References (37)
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  • 10
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    • F. A. Reboredo and P. R. C. Kent, Phys. Rev. B 77, 245110 (2008). 10.1103/PhysRevB.77.245110
    • (2008) Phys. Rev. B , vol.77 , pp. 245110
    • Reboredo, F.A.1    Kent, P.R.C.2
  • 11
    • 70350625920 scopus 로고    scopus 로고
    • Understanding sections I, II, III, V and VI of Ref. is required before reading this article.
    • Understanding sections I, II, III, V and VI of Ref. is required before reading this article.
  • 12
    • 70350679529 scopus 로고    scopus 로고
    • The energy unit is 2 / (2m).
    • The energy unit is 2 / (2m).
  • 14
    • 70350654633 scopus 로고    scopus 로고
    • Note that the limit ε→0 is taken after the amplitude of the potential tends to ∞. Thus, this potential does not have the δ (R) form, and every eigenstate of HFN must be zero at ST (R).
    • Note that the limit ε→0 is taken after the amplitude of the potential tends to ∞. Thus, this potential does not have the δ (R) form, and every eigenstate of HFN must be zero at ST (R).
  • 15
    • 70350640125 scopus 로고    scopus 로고
    • The Jastrow factor does not change the nodes but accelerates convergence and improves the algorithm's numerical stability.
    • The Jastrow factor does not change the nodes but accelerates convergence and improves the algorithm's numerical stability.
  • 16
    • 70350640124 scopus 로고    scopus 로고
    • The ground-state | Ψ0 □ is formally obtained by applying the evolution operator e-τ H to a trial wave-function | ΨT ℓ=0 □ in the limit τ→∞.
    • The ground-state | Ψ0 □ is formally obtained by applying the evolution operator e-τ H to a trial wave-function | ΨT ℓ=0 □ in the limit τ→∞.
  • 30
    • 70350646007 scopus 로고    scopus 로고
    • All symmetries of H must be considered, which includes space group symmetries, spin, and particle permutations.
    • All symmetries of H must be considered, which includes space group symmetries, spin, and particle permutations.
  • 31
    • 70350657714 scopus 로고    scopus 로고
    • C. Umrigar (private communication). A description of the benefits of his suggested improvement for the ground state will be published elsewhere.
    • Umrigar, C.1
  • 32
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    • If the change in the wave-function coefficients is dominated by random noise, the scalar product between the old and the new δ λn can be negative and M is multiplied by a factor larger than 1.
    • If the change in the wave-function coefficients is dominated by random noise, the scalar product between the old and the new δ λn can be negative and M is multiplied by a factor larger than 1.
  • 35
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    • A SrLi dimer with 13 electrons has been compared with energy minimization calculations (Ref.). We have also a proof of principle for C 20 +2 (78 electrons and 700 determinants).
    • A SrLi dimer with 13 electrons has been compared with energy minimization calculations (Ref.). We have also a proof of principle for C 20 +2 (78 electrons and 700 determinants).
  • 37
    • 70350638207 scopus 로고    scopus 로고
    • arXiv:0906.0501 (unpublished).
    • N. Nemec, arXiv:0906.0501 (unpublished).
    • Nemec, N.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.