Related papers: Testing self-energy embedding theory in combinatio…
We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…
This paper focuses on wireless energy transfer (WET) to a pair of low complex energy receivers (ER), by only utilizing received signal strength indicator (RSSI) values that are fed back from the ERs to the energy transmitter (ET). Selecting…
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives…
We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…
We present a general embedding theory of electronic excitations of a relatively small, localized system in contact with an extended, chemically complex environment. We demonstrate how to include the screening response of the environment…
This paper explores whether graph embedding methods can be used as a tool for analysing the robustness of power-grids within the framework of network science. The paper focuses on the strain elevation tension spring embedding (SETSe)…
We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…
For light and massless scalar fields, cosmological correlation functions suffer from infrared divergences and secular logarithms. Soft de Sitter Effective Theory (SdSET) has been proposed by Cohen and Green as the effective description of…
A persistent challenge in machine learning for electronic-structure calculations is the sharp imbalance between abundant low-fidelity data like DFT or TDDFT results and the scarcity of high-fidelity data like many-body perturbation theory…
In this proceedings I review the soft-collinear effective theory (SCET), an effective theory for energetic particles. I also discuss factorization in exclusive and inclusive B-> D^(*)X decays, and tests which can help distinguish whether…
We apply the renormalized singles (RS) Green's function in the Bethe-Salpeter equation (BSE)/$GW$ approach to predict accurate neutral excitation energies of molecular systems. The BSE calculations are performed on top of the…
This paper introduces the Strain Elevation Tension Spring embedding (SETSe) algorithm, a graph embedding method that uses a physics model to create node and edge embeddings in undirected attribute networks. Using a low-dimensional…
A short introduction of a relation between a Green's function and a quantum wave impedance function as well as its application to a determination of eigenenergies and eigenfunctions of a quatum-mechanical system is provided. Three different…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
A procedure is developed for using Soft Collinear Effective Theory (SCET) to generate fully exclusive events, which can then be compared to data from collider experiments. We show that SCET smoothly interpolates between QCD for hard…
Integrable systems do not obey the strong eigenstate thermalization hypothesis (ETH), which has been proposed as a mechanism of thermalization in isolated quantum systems. It has been suggested that an integrable system reaches a steady…
We propose an effective Bethe ansatz for solving quantum many-body systems near an integrable point. Our approach retains the functional form of the Bethe wave function while renormalizing the Bethe roots to account for…
We present DeepSAT, a novel end-to-end learning framework for the Boolean satisfiability (SAT) problem. Unlike existing solutions trained on random SAT instances with relatively weak supervision, we propose applying the knowledge of the…
Organic electronics is a rapidly developing technology. Typically, the molecules involved in organic electronics are made up of hundreds of atoms, prohibiting a theoretical description by wavefunction-based ab-initio methods.…