Comment on “Quantum Monte Carlo study of the dipole moment of CO” [J. Chem. Phys. 110, 11700 (1999)] | Zendy

K. C. Huang | Zendy; R. J. Needs | Zendy; G. Rajagopal | Zendy

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Comment on “Quantum Monte Carlo study of the dipole moment of CO” [J. Chem. Phys. 110, 11700 (1999)]

Author(s) -

K. C. Huang,

R. J. Needs,

G. Rajagopal

Publication year - 2000

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.480990

Subject(s) - quantum monte carlo , feynman diagram , physics , diffusion monte carlo , moment (physics) , monte carlo method , lambda , quantum mechanics , dipole , mathematical physics , quantum , statistical physics , mathematics , hybrid monte carlo , statistics , markov chain monte carlo

Recently Schautz and Flad concluded that the Hellmann-Feynman theorem holdswithin the fixed-node diffusion quantum Monte Carlo (DMC) method. We show thatthe Hellmann-Feynman expression is not in general equal to the derivative ofthe DMC energy with respect to some parameter $\lambda$ if the nodal surfacedepends on $\lambda$.Comment: 2 pages. To appear in J. Chem. Phy

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