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We present the reaction-coordinate polaron-transform (RCPT) framework for generating effective Hamiltonian models to treat nonequilibrium open quantum systems at strong coupling with their surroundings. Our approach, which is based on two…
A novel effective Hamiltonian in the subspace of singly occupied states is obtained by applying the Gutzwiller projection approach to a generalized Hubbard model with the interactions between two nearest- neighbor sites. This model provides…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
For ultrashort VUV pulses with a pulse length comparable to the orbital time of the bound electrons they couple to we propose a simplified envelope Hamiltonian. It is based on the Kramers-Henneberger representation in connection with a…
This contribution summarises the theoretical basics for the theory of x-ray matter interaction and is based on a quantised description of the electromagnetic field. In view of a formally transparent presentation, we adopt the approach of…
Dualities are hidden symmetries that map seemingly unrelated physical systems onto each other. The goal of this work is to systematically construct families of Hamiltonians endowed with a given duality and to provide a universal description…
\textit{Ab initio} pseudo-atomic orbital (PAO) Hamiltonians express the electronic structure of a solid in a compact, localized basis that spans the same Hilbert space as a conventional Slater--Koster tight-binding model, thereby providing…
We propose a refined scheme of deriving an effective low-energy Hamiltonian for materials with strong electronic Coulomb correlations beyond density functional theory (DFT). By tracing out the electronic states away from the target degrees…
Constructing models for cavity quantum materials requires a careful treatment of the light-matter coupling. In general, one must specify matrix elements constructed from the material wavefunctions, which are often unknown in a tight-binding…
We consider a single particle tunnelling in a tight-binding model with nearest-neighbour couplings, in the presence of a periodic high-frequency force. An effective Hamiltonian for the particle is derived using an averaging method…
Strong light-matter coupling is a quantum process in which light and matter are coupled together, generating hybridized states. This is similar to the notion of molecular hybridization, but one of the components is light. Here, we utilized…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Entanglement is central to our understanding of many-body quantum matter. In particular, the entanglement spectrum, as eigenvalues of the reduced density matrix of a subsystem, provides a unique footprint of properties of strongly…
The Hamiltonian approach to the General Relativity is formulated as a joint nonlinear realization of conformal and affine symmetries by means of the Dirac scalar dilaton and the Maurer-Cartan forms. The dominance of the Casimir vacuum…
Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…
The direct bandgap found in hexagonal germanium and some of its alloys with silicon allows for an optically active material within the group-IV semiconductor family with various potential technological applications. However, there remain…
In the spirit of multi-scale modeling, we develop a theoretical framework for spin-lattice coupling that connects, on the one hand, to ab initio calculations of spin-lattice coupling parameters and, on the other hand, to the magneto-elastic…
Some relevant transport properties of solids do not depend only on the spectrum of the electronic Hamiltonian, but on finer properties preserved only by unitary equivalence, the most striking example being the conductance. When interested…
Strong coupling exhibits unique ability to preserve quantum sates between light and matter, which is essential for the development of quantum information technology. To explore the physical mechanism behind this phenomenon, we employ the…