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Title: Chebyshev recursion methods: Kernel polynomials and maximum entropy

Abstract

The authors describe two Chebyshev recursion methods for calculations with very large sparse Hamiltonians, the kernel polynomial method (KPM) and the maximum entropy method (MEM). They are especially applicable to physical properties involving large numbers of eigenstates, which include densities of states, spectral functions, thermodynamics, total energies, as well as forces for molecular dynamics and Monte Carlo simulations. The authors apply Chebyshev methods to the electronic structure of Si, the thermodynamics of Heisenberg antiferromagnets, and a polaron problem.

Authors:
; ; ;  [1]
  1. Los Alamos National Lab., NM (United States). Theoretical Div.
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
119974
Report Number(s):
LA-UR-95-3279; CONF-9507156-2
ON: DE96001389; TRN: 95:024439
DOE Contract Number:  
W-7405-ENG-36
Resource Type:
Technical Report
Resource Relation:
Conference: Hayashibara forum `95, Kyoto (Japan), Jul 1995; Other Information: PBD: [1995]
Country of Publication:
United States
Language:
English
Subject:
66 PHYSICS; 36 MATERIALS SCIENCE; HAMILTONIANS; CALCULATION METHODS; SOLID STATE PHYSICS; SILICON; ELECTRONIC STRUCTURE; HEISENBERG MODEL; THERMODYNAMICS; RECURSION RELATIONS; USES; ANTIFERROMAGNETIC MATERIALS; EIGENVALUES; THEORETICAL DATA; CRYSTAL LATTICES

Citation Formats

Silver, R N, Roeder, H, Voter, A F, and Kress, J D. Chebyshev recursion methods: Kernel polynomials and maximum entropy. United States: N. p., 1995. Web. doi:10.2172/119974.
Silver, R N, Roeder, H, Voter, A F, & Kress, J D. Chebyshev recursion methods: Kernel polynomials and maximum entropy. United States. https://doi.org/10.2172/119974
Silver, R N, Roeder, H, Voter, A F, and Kress, J D. 1995. "Chebyshev recursion methods: Kernel polynomials and maximum entropy". United States. https://doi.org/10.2172/119974. https://www.osti.gov/servlets/purl/119974.
@article{osti_119974,
title = {Chebyshev recursion methods: Kernel polynomials and maximum entropy},
author = {Silver, R N and Roeder, H and Voter, A F and Kress, J D},
abstractNote = {The authors describe two Chebyshev recursion methods for calculations with very large sparse Hamiltonians, the kernel polynomial method (KPM) and the maximum entropy method (MEM). They are especially applicable to physical properties involving large numbers of eigenstates, which include densities of states, spectral functions, thermodynamics, total energies, as well as forces for molecular dynamics and Monte Carlo simulations. The authors apply Chebyshev methods to the electronic structure of Si, the thermodynamics of Heisenberg antiferromagnets, and a polaron problem.},
doi = {10.2172/119974},
url = {https://www.osti.gov/biblio/119974}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Oct 01 00:00:00 EDT 1995},
month = {Sun Oct 01 00:00:00 EDT 1995}
}