Related papers: Quantum algorithm for simulating resonant inelasti…
Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers. Recently, several authors have proposed…
A theoretical spin-based scheme for performing a variety of quantum computations is presented. It makes use of an array of multiple identical computer vectors of phosphorus-doped silicon where the nuclei serve as logical qubits and the…
Variational Quantum Algorithms (VQAs) are a promising approach to leverage Noisy Intermediate-Scale Quantum (NISQ) computers. However, choosing optimal quantum circuits that efficiently solve a given VQA problem is a non-trivial task.…
We present an efficient and precise framework to quantum simulate the dynamics of the ultra-relativistic quark-nucleus scattering. This framework employs the eigenbasis of the asymptotic scattering system and implements a compact scheme for…
We calculate the resonant inelastic X-ray scattering (RIXS) response in a Mott insulator which is described by the Falicov-Kimball model. The model can be solved exactly within the single site dynamical mean-field theory (DMFT)…
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…
Quantum computing presents a promising alternative to classical computational methods for modeling strongly correlated materials with partially filled d orbitals. In this study, we perform a comprehensive quantum resource estimation using…
Resonant inelastic X-ray scattering (RIXS) detects various types of high- and low-energy elementary excitations in correlated solids, and this tool will play an increasingly important role in investigations of time-dependent phenomena in…
Orbital degrees of freedom play a major role in the physics of many strongly correlated transition metal compounds. However, they are still very difficult to access experimentally, in particular by neutron scattering. We propose here how to…
Strong electronic correlation can lead to insulating behavior and to the opening of large optical gaps, even in materials with partly filled valence shells. Although the non-equilibrium optical response encodes both local (quasi atomic) and…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
We discuss the calculation of resonant inelastic x-ray scattering (RIXS) with Xclaim, a multi-plaform code for the calculation of core-hole spectroscopy based on a ligand-field multiplet model. RIXS can be calcuated with a ligand-field…
The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian…
We study resonant x-ray scattering (RXS) at Np M_{4,5} edges in the triple-\textbf{k} multipole ordering phase in NpO_{2}, on the basis of a localized electron model. We derive an expression for RXS amplitudes to characterize the spectra…
Quantum computers have the potential to help solve a range of physics and chemistry problems, but noise in quantum hardware currently limits our ability to obtain accurate results from the execution of quantum-simulation algorithms. Various…
Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) contrast is key to identifying suitable candidates. However,…
Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the…
Resonant inelastic X-ray scattering (RIXS) is a powerful photon-in, photon-out spectroscopy technique for probing electronic, magnetic, and lattice excitations in matter. Time-resolved RIXS extends this capability through a stroboscopic…
In the study of open quantum systems, one typically obtains the decoherence dynamics by solving a master equation. The master equation is derived using knowledge of some basic properties of the system, the environment and their interaction:…
We present a computation of Cu K-edge resonant inelastic x-ray scattering (RIXS) spectra for electron-doped cuprates which includes coupling to bosonic fluctuations. Comparison with experiment over a wide range of energy and momentum…