Cambridge Quantum Monte Carlo

INTERESTING QMC RESEARCH AROUND THE WORLD

This page contains a set of links to PDFs of interesting or original research papers by anyone other than us developing or using quantum Monte Carlo in the sense of an ab initio electronic structure method. As you can see the list is still under construction and in general the content will be what I could be bothered to include, not what deserves to be included. The article also needs to be in a journal providing PDF content to which Cambridge University has a subscription, and to have well-defined links for external users to access particular articles (why can't all on-line journals be as user-friendly as Physical Review?).

Fundamental stuff
  • Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Formulation and application to diamond, graphite, and silicon ,
    S.Fahy, X.W.Wang and S.G.Louie, Phys. Rev. B 42, 3503 (1990) [PDF]

  • A diffusion Monte Carlo algorithm with very small time step errors ,
    Umrigar CJ, Nightingale MP, Runge KJ, J Chem Phys 99, 2865-2890 (1993 ) [PDF]

  • Spin contamination in quantum Monte Carlo wave functions ,
    C.J.Huang, C. Filippi and C.Umrigar J Chem Phys 108, 8838-8847 (1998) [PDF]

Forces
  • Correlated sampling in quantum Monte Carlo: A route to forces,
    Filippi C, Umrigar CJ, Phys. Rev. B 61, R16291 (2000) [PDF]

Pseudopotentials
  • Nonlocal pseudopotentials and diffusion Monte Carlo,
    L. Mitás, E.L. Shirley, and D.M. Ceperley, J. Chem. Phys. 95, 3467 (1991) [PDF]

Applications - solids
  • Quantum Monte Carlo of nitrogen: atom, dimer, atomic and molecular solids
    L.Mitás and R.M.Martin, Phys. Rev. Lett 72, 2438 (1994) [PDF]

Applications - molecules
  • Benchmark quantum Monte Carlo calculations,
    J.C. Grossman, J. Chem. Phys. 117, 1434 (2002) [PDF]

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