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We introduce a new method for representing the low energy subspace of a bosonic field theory on the qubit space of digital quantum computers. This discretization leads to an exponentially precise description of the subspace of the…

Quantum Physics · Physics 2018-10-17 Alexandru Macridin , Panagiotis Spentzouris , James Amundson , Roni Harnik

This article reviews theoretical methods developed in the last decade to understand cavity quantum electrodynamics in the ultrastrong-coupling regime, where the strength of the light-matter interaction becomes comparable to the photon…

Quantum Physics · Physics 2020-06-05 Alexandre Le Boité

We present the extension of Frozen Density Embedding (FDE) theory to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE a is DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of…

Chemical Physics · Physics 2015-06-23 Alisa Krishtal , Davide Ceresoli , Michele Pavanello

Qudits have proven to be a powerful resource for quantum information processing, offering enhanced channel capacities, improved robustness to noise, and highly efficient implementations of quantum algorithms. The encoding of photonic qudits…

Quantum Physics · Physics 2025-10-14 Suraj Goel , Bohnishikha Ghosh , Mehul Malik

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

Chemical Physics · Physics 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

The loss of gauge invariance in models of light-matter interaction which arises from material and photonic space truncation can pose significant challenges to conventional quantum optical models when matter and light strongly hybridize. In…

Quantum Physics · Physics 2023-01-31 Chris Gustin , Sebastian Franke , Stephen Hughes

Cavity-mediated light-matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure…

Quantum Physics · Physics 2024-06-19 Derek S. Wang , Tomáš Neuman , Johannes Flick , Prineha Narang

We demonstrate that with a stepwise introduction of complexity to a model of an electron system embedded in a photonic cavity and a carefully controlled stepwise truncation of the ensuing many-body space it is possible to describe the…

Mesoscale and Nanoscale Physics · Physics 2013-07-01 Vidar Gudmundsson , Olafur Jonasson , Thorsten Arnold , Chi-Shung Tang , Hsi-Sheng Goan , Andrei Manolescu

To go beyond quantum optics in free-space setups, atom-light interfaces with structured photonic environments are often employed to realize unconventional quantum electrodynamics (QED) phenomena. However, when employed as quantum buses,…

Quantum Physics · Physics 2025-03-03 Xin Wang , Huai-Bing Zhu , Tao Liu , Franco Nori

We extend the Runge-Gross theorem for a very general class of Markovian and non-Markovian open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS)…

Materials Science · Physics 2011-02-09 Joel Yuen-Zhou , David G. Tempel , César Rodríguez-Rosario , Alán Aspuru-Guzik

In broadband quantum optical systems, nonlinear interactions among a large number of frequency components induce complex dynamics that may defy heuristic analysis. In this work we introduce a perturbative framework for factoring out…

Quantum Physics · Physics 2023-11-08 Chris Gustin , Ryotatsu Yanagimoto , Edwin Ng , Tatsuhiro Onodera , Hideo Mabuchi

A time-dependent theory for the interactions between spatially separated lossy cavities in a homogeneous background medium using quantized quasinormal modes (QNMs) is presented. The cavities interact via a bath of traveling photons,…

Mesoscale and Nanoscale Physics · Physics 2026-04-15 Robert Meiners Fuchs , Juanjuan Ren , Sebastian Franke , Stephen Hughes , Marten Richter

Light enables manipulating many-body states of matter, and atoms trapped in optical lattices is a prominent example. However, quantum properties of light are completely neglected in all quantum gas experiments. Extending methods of quantum…

A reduced-density-matrix (RDM)-based approach to {\em ab initio} cavity quantum electrodynamics (QED) is developed. The expectation value of the Pauli-Fierz Hamiltonian is expressed in terms of one- and two-body electronic and photonic…

Chemical Physics · Physics 2022-11-23 Joel D. Mallory , A. Eugene DePrince

Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes…

Quantum Physics · Physics 2025-10-21 Francesco Troisi , Simone Latini , Heiko Appel , Martin Lüders , Angel Rubio , Ivano Tavernelli

Inspired by a recently observed asymmetry in the transmission of circularly polarized light through a metamaterial, we present a non-hermitian PT-symmetric quantum model to describe the interaction of the light fields in two resonant…

Quantum Physics · Physics 2015-05-05 Roberto Baginski B. Santos

In high temperature density functional theory simulations (from tens of eV to keV) the total number of Kohn-Sham orbitals is a critical quantity to get accurate results. To establish the relationship between the number of orbitals and the…

Computational Physics · Physics 2021-02-03 Augustin Blanchet , Marc Torrent , Jean Clerouin

We investigate the quantum dynamics of systems involving small numbers of strongly interacting photons. Specifically, we develop an efficient method to investigate such systems when they are externally driven with a coherent field.…

Quantum Physics · Physics 2013-06-20 Mohammad Hafezi , Mikhail D. Lukin , Jacob M. Taylor

We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…

The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semi-classical…

Mesoscale and Nanoscale Physics · Physics 2017-11-06 Markus Kantner , Markus Mittnenzweig , Thomas Koprucki