Surveying an energy landscape
We derive a formula that expresses the density of states of a system with continuous degrees of freedom as a function of microcanonical averages of squared gradient and Laplacian of the Hamiltonian. This result is then used to propose a novel flat-histogram Monte Carlo algorithm, which is tested on...
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Veröffentlicht in: | Frontiers in physics 2023-10, Vol.11 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | We derive a formula that expresses the density of states of a system with continuous degrees of freedom as a function of microcanonical averages of squared gradient and Laplacian of the Hamiltonian. This result is then used to propose a novel flat-histogram Monte Carlo algorithm, which is tested on a three-dimensional system of interacting Lennard-Jones particles, the O(
n
) vector spin model on hypercubic lattices in
D
= 1 to 5 dimensions, and the O(3) Heisenberg model on a triangular lattice featuring frustration effects. |
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ISSN: | 2296-424X 2296-424X |
DOI: | 10.3389/fphy.2023.1218107 |