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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Frontiers in physics 2023-10, Vol.11
Hauptverfasser: Schnabel, Stefan, Janke, Wolfhard
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
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.
ISSN:2296-424X
2296-424X
DOI:10.3389/fphy.2023.1218107