Related papers: Tensor Network Path Integral Study of Dynamics in …
We compare three model-free numerical methods for inverting structural data to obtain interaction potentials, namely iterative Boltzmann inversion (IBI), test-particle insertion (TPI), and a machine-learning (ML) approach called ActiveNet.…
Carriers such as electrons and holes inside the Brillouin zone of complex semiconducting materials can form bound states (excitons, biexcitons etc.). For obtaining the corresponding eigenstates (e.g. through Wannier or Bethe Salpeter…
Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a…
Interlayer excitons in two dimensional semiconductor heterostructures show suppressed electron-hole overlap resulting in longer radiative lifetimes as compared to intralyer excitons. Such tightly bound interlayer excitons are relevant for…
Many linked processes occur concurrently in strongly excited semiconductors, such as interband and intraband absorption, scattering of electrons and holes by the heated lattice, Pauli blocking, bandgap renormalization and the formation of…
We investigate exciton transport through one-dimensional molecular aggregates interacting strongly with a cavity mode. Unlike several prior theoretical studies treating the monomers as simple two-level systems, exciton-vibration coupling is…
In this paper, we simulate the linear absorption spectra of the MePTCDI and PTCDA crystals. The basic Hamiltonian describes the Frenkel excitons and charge-transfer excitons mixing in the molecular stack (point group C_i) and their linear…
The Feynman-Vernon path integral formalism is used to derive the density matrix of a quantum oscillator that is linearly coupled to an environmental reservoir. Although low-temperature reservoirs thermalize the oscillator to the usual…
The linear absorption spectrum of excitons in TMDC monolayers under the influence of an in-plane magnetic field is theoretically studied. We demonstrate that in-plane magnetic fields induce a hybridization between spin-bright and spin-dark…
Tensor networks have historically proven to be of great utility in providing compressed representations of wave functions that can be used for calculation of eigenstates. Recently, it has been shown that a variety of these networks can be…
Predictive simulation of vibrational spectra of complex condensed-phase and interface systems with thousands of degrees of freedom has long been a challenging task of modern condensed matter theory. In this work, fourth-generation…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
A generic and intuitive model for coherent energy transport in multiple minima systems coupled to a quantum mechanical bath is shown. Using a simple spin-boson system, we illustrate how a generic donor-acceptor system can be brought into…
To elucidate low-frequency vibrational modes, we investigate a benzoxazolium--coumarin (BCO+) donor-pi-acceptor derivative using transmission terahertz time-domain spectroscopy (THz-TDS). The retrieved complex refractive index reveals…
A minimal, one-parameter model of the excitonic Hamiltonian for the light harvesting complex of purple bacteria (LH2) based on ab initio calculation of the excitonic energies is proposed. The set of input parameters contains positions of…
Efficient methods to access the entanglement of a quantum many-body state, where the complexity generally scales exponentially with the system size $N$, have long a concern. Here we propose the Schmidt tensor network state (Schmidt TNS)…
Machine learning (ML) is shaping our exploration of topological matter, whose existence is inherently tied to the geometry of quantum states or energy spectra. In non-Hermitian systems, distinctive spectral geometry can lead to topological…
Computing excitonic spectra in quasicrystal and super-moir\'e systems constitutes a formidable challenge due to the exceptional size of the excitonic Hilbert space. Here, we demonstrate a tensor-network method for the real-space…
A combined approach of first-principles density-functional calculations and the systematic cluster-expansion scheme is presented. The dipole, quadrupole, and Coulomb matrix elements obtained from ab initio calculations are used as an input…
This article discusses two dual approaches to spin transport in magnetic multilayers: a direct, purely quantum, approach based on a Tight-Biding model (TB) and a semiclassical approach (Continuous Random Matrix Theory, CRMT). The…