Quantum Monte Carlo by message passing Page: 3 of 14
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Quantum Monte Carlo by Message Passing
J. Bona and J. 2. Gubernatis
Theoretical Division and Center for Nonlinear Studies
Las Alamos National Laboratory, Los Alamos, NM 87545, U.S.A.
Abstract. We summarise results of quantum Monte Carlo simulations of the
degenerate ingle-impurity Andermon model using the impurity algorithm of
Hirsch and Fye. Using ruethods of Bayesian statistics. inference, coupled with
the principle of maximum entropy, we extracted the sing.li-particle spectral
density from the imaginary-time Green's function. The variations of resulting
spectral densities with model parameters agree qualitatively with the spectral
densities predicted by NCA calculations. All the simulations were performs. I on
a cluster of 16 IBM R6000/560 workstations under the control of the message-
passing software PVM. We described the trivial parallelisation of our quantum
Monte Carlo code both for the cluster e'd the CM-5 computer. Other issues
for effective parallelisation of the impurity algorithm are also discussed.
In spite of the fact that the single-impurity Anderson model (1) was lrst
proposed 30 years ago as a model for the properties of dilute magnetic alloys,
theoretical and numerical work on the model remains very active because it is
one of the simplest paradigms for a system of strongly interacting electrons.
Over the yeah, considerable progress has been made in understanding the
properties of the model by several significant advances in analytic and numerical
technique. [2, 31. These techniques have sought to calculate various static and
dynamic correlation functions to reveal the relevance of the model for such
nasy-body phenomena as the Kondo efect, mined valence fluctuations, and
wal magnetic moment formation that are observed in dilute magnetic alloys.
Although the main features of the spectral density function of the degen-
erate modll, such as Che position of the broad side peaks and the existent e of
a Naarp resonance close to the Fermi energy, are likely well reproduced by dif-
ferent analytical and numerical methods [4, 5,8, 7, M, relative spectral weights
Permanent address J. Stefan lstitute,Unlvervity of Ljublana, 81111 Ljubl
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Bonca, J. & Gubernatis, J.E. Quantum Monte Carlo by message passing, article, January 1, 1993; New Mexico. (https://digital.library.unt.edu/ark:/67531/metadc1211881/m1/3/: accessed April 20, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.