Open AccessChebyshev moment problems: Maximum entropy and kernel polynomial methods
Author(s) -
R.N. Silver,
H. Roeder,
A.F. Voter,
J. D. Kress
Publication year - 1995
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/195578
Subject(s) - chebyshev polynomials , principle of maximum entropy , chebyshev filter , statistical physics , eigenvalues and eigenvectors , mathematics , monte carlo method , kernel (algebra) , recursion (computer science) , entropy (arrow of time) , physics , combinatorics , algorithm , mathematical analysis , quantum mechanics , statistics
Two Chebyshev recursion methods are presented for calculations with very large sparse Hamiltonians, the kernel polynomial method (KPM) and the maximum entropy method (MEM). They are applicable to physical properties involving large numbers of eigenstates such as densities of states, spectral functions, thermodynamics, total energies for Monte Carlo simulations and forces for tight binding molecular dynamics. this paper emphasizes efficient algorithms
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