相关论文: Energy-Specific Bethe-Salpeter Equation Implementa…
Two examples of recent progress in applications of the Dyson-Schwinger equation (DSE) formalism are presented: (1) Strong coupling quantum electrodynamics in 4 dimensions (QED$_4$) is an often studied model, which is of interest both in its…
A very accurate, (HF)$_2$ potential energy surface (PES) due to Huang et al. (J. Chem. Phys., 150, 154302 (2019)) is used to calculate the energy levels of the HF dimer by solving the nuclear-motion Schr\"{o}dinger equation using…
In wireless network communication environments, Spectral Efficiency (SE) and Energy Efficiency (EE) are among the major indicators used for evaluating network performance. However, given the high demand for data rate services and the…
Energy detector (ED) is a popular choice for distributed cooperative spectrum sensing because it does not need to be cognizant of the primary user (PU) signal characteristics. However, the conventional ED-based sensing usually requires…
To expand the QUEST database of highly-accurate vertical transition energies, we consider a series of large organic chromogens ubiquitous in dye chemistry, such as anthraquinone, azobenzene, BODIPY, and naphthalimide. We compute, at the CC3…
We conduct a comprehensive assessment of the electronic and optical properties, as well as photovoltaic (PV) performance parameters for Mg$_{2}$Si and Ca$_{2}$Si using density-functional theory and Bethe-Salpeter equation (BSE) based…
It is an well established fact that statistical properties of energy level spectra are the most efficient tool to characterize nonintegrable quantum systems. The study of statistical properties and spectral fluctuation in the interacting…
Density functional calculations of Rydberg excited states up to high energy are carried out for several molecules using an approach where the orbitals are variationally optimized by converging on saddle points on the electronic energy…
The Variational Quantum Eigensolver (VQE) is a key algorithm for near-term quantum computers, yet its performance is often limited by the classical optimization of circuit parameters. We propose using the velocity Verlet algorithm, inspired…
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm used to find the ground state of a Hamiltonian using variational methods. In the context of this Lattice symposium, the procedure can be used to study lattice…
The Bethe-Salpeter equation plays a crucial role in understanding the physics of correlated fermions, relating to optical excitations in solids as well as resonances in high-energy physics. Yet, it is notoriously difficult to control…
Excitonic effects due to electron-hole coupling play a fundamental role in renormalising energy levels in dye sensitised and organic solar cells determining the driving force for electron extraction. We show that first-principles…
The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…
We propose a cost-efficient measurement scheme of the variational quantum eigensolver (VQE) for atomistic simulations of electronic structures based on a tight-binding (TB) theory. Leveraging the lattice geometry of a material domain, the…
We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studies involving large numbers of PES evaluations, such as the…
We propose an extension of the Variational Quantum Eigensolver (VQE) that leads to more accurate energy estimations and can be used to study excited states. The method is based on the introduction of a sequence of increasing penalties in…
An innovative approach: MSS - the Method of Spectra Superposition for high energy-resolution (Delta-E) studies on any accelerator of nuclear reactions at fixed targets by magnetic spectrometers, has been invented. For thin targets MSS…
Accurate calibration of control parameters in quantum gates is crucial for high-fidelity operations, yet it represents a significant time and resource challenge, necessitating periods of downtime for quantum computers. Robust Phase…
In this paper, a novel method is proposed, and employed to design a single diffractive optical element (DOE) for implementing spectrum-splitting and beam-concentration (SSBC) functions simultaneously. We develop an optimization algorithm,…
The computation of interaction energies on noisy intermediate-scale quantum (NISQ) computers appears to be challenging with straightforward application of existing quantum algorithms. For example, use of the standard supermolecular method…