Density of Avoided Crossings and Diabatic Representation

Autor:	Anatoly E. Obzhirov, Eric J. Heller
Jazyk:	angličtina
Rok vydání:	2023
Předmět:	time evolution of quantum systems structure of eigenstates and energy spectra random matrix theory semiclassical methods and results atomic molecular and solid-state systems Science Astrophysics QB460-466 Physics QC1-999
Zdroj:	Entropy, Vol 25, Iss 5, p 751 (2023)
Druh dokumentu:	article
ISSN:	1099-4300
DOI:	10.3390/e25050751
Popis:	Electronic structure theory describes the properties of solids using Bloch states that correspond to highly symmetrical nuclear configurations. However, nuclear thermal motion destroys translation symmetry. Here, we describe two approaches relevant to the time evolution of electronic states in the presence of thermal fluctuations. On the one hand, the direct solution of the time-dependent Schrodinger equation for a tight-binding model reveals the diabatic nature of time evolution. On the other hand, because of random nuclear configurations, the electronic Hamiltonian falls into the class of random matrices, which have universal features in their energy spectra. In the end, we discuss combining two approaches to obtain new insights into the influence of thermal fluctuations on electronic states.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/8af468f0b12443c4bd8f59913981af72 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
Nepřihlášeným uživatelům se plný text nezobrazuje	K zobrazení výsledku je třeba se přihlásit.