Journal of Chemical Theory and Computation, Год журнала: 2025, Номер unknown

Опубликована: Апрель 13, 2025

In this paper, we present the extended dissipaton theory, including dissipaton-equation-of-motion formalism and equivalent dissipaton-embedded quantum master equation. These are exact, non-Markovian, nonperturbative theories, capable of handling not only linear but also quadratic environmental couplings. scenarios prevalent in a variety strongly correlated electronic systems, mesoscopic nanodevices superconductors. As demonstration, apply theory to simulate spectral functions an adatom on graphene substrate. We analyze peaks presence substrate compare them those obtained conventional metal environments. The adatom's reveal intricate behaviors arising from band structure graphene.

Язык: Английский