Related papers: Strong coupling quantum electrodynamics Hartree-Fo…
In recent years, a rigorous quantum mechanical model for the interaction between light and macroscopic dispersive, lossy dielectrics has emerged -macroscopic QED- allowing the application of the usual methods of quantum field theory. Here,…
Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of materials properties. In particular the latter possibility has spurred the development of advanced…
We present a novel method that appropriately handles both dynamical and static electron correlation in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable…
The multiconfiguration methods are widely used by quantum physicists and chemists for numerical approximation of the many electron Schr\"odinger equation. Recently, first mathematically rigorous results were obtained on the time-dependent…
We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
We study the emission from a molecular photonic cavity formed by two proximal photonic crystal defect cavities containing a small number (<3) of In(Ga)As quantum dots. Under strong excitation we observe photoluminescence from the bonding…
We introduce the Deep Post-Hartree-Fock (DeePHF) method, a machine learning based scheme for constructing accurate and transferable models for the ground-state energy of electronic structure problems. DeePHF predicts the energy difference…
As a contribution to the study of Hartree-Fock theory we prove rigorously that the Hartree-Fock approximation to the ground state of the d-dimensional Hubbard model leads to saturated ferromagnetism when the particle density (more…
The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective…
Band ferromagnetism in strongly correlated electron systems is one of the most challenging issue in today's condensed-matter physics. In this theoretical work, we study the competition between kinetic term, Coulomb repulsion, and on-site…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
The interplay of the excitoniclike polariton, polariton, and photoniclike polariton coherent states in mass-imbalanced electron-hole systems within optical microcavities is theoretically examined. Utilizing the unrestricted Hartree-Fock…
We report on a study of the charged-skyrmion or spin-texture excitations which occur in quantum Hall ferromagnets near odd Landau level filling factors. Particle-hole symmetry is used to relate the spin-quantum numbers of charged particle…
We investigate the coupling of different quantum-embedding approaches with a third molecular-mechanics layer, which can be either polarizable or non-polarizable. In particular, such a coupling is discussed for the multilevel families of…
We present a detailed derivation and discussion of cavity Born-Oppenheimer coupled cluster (CBO-CC) theory and address cavity-modified electron correlation in the vibrational strong coupling regime. Methodologically, we combine the recently…
Coherent light-matter interactions between a quantum gas and light in a high-finesse cavity can drive self-ordering phase transitions. To date, such phenomena have involved exclusively single-atom coupling to light, resulting in coupled…
Embedding materials in optical cavities has emerged as a strategy for tuning material properties. Accurate simulations of electrons in materials interacting with quantum photon fluctuations of a cavity are crucial for understanding and…