Related papers: Variational projector augmented-wave method: theor…
Surface acoustic wave (SAW) is utilized in diverse fields ranging from physics, engineering, to biology, for transducing, sensing and processing various signals. Optical measurement of SAW provides valuable information since the amplitude…
The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…
In this paper, we explore the possibilities of realizing weak value amplification (WVA) using purely atomic degrees of freedom. Our scheme identifies the internal electronic states and external motional states of a single trapped…
We develop a coordinate invariant formalism which describes the mechanical and electromagnetic interaction of gravitational waves (GWs) with a wide class of resonant detectors. We solve the GW-modified equations of electrodynamics and…
We present adaptive measurement techniques tailored for variational quantum algorithms on near-term small and noisy devices. In particular, we generalise earlier "learning to measure" strategies in two ways. First, by considering a class of…
We present an implementation of the optimised effective potential (OEP) scheme for the exact-exchange (EXX) and random phase approximation (RPA) energy functionals and apply these methods to a range of bulk materials. We calculate the…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
This paper presents a new approach for the computation of eigenvalues of the generalized spheroidal wave equations. The novelty of the present method is in the use of the analytical derivatives of the eigenvalues to minimize losses in…
Precise device characterization is a fundamental requirement for a large range of applications using photonic hardware, and constitutes a multi-parameter estimation problem. Estimates based on measurements using single photons or classical…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
A theoretical model is developed by exploiting the variational technique to investigate the evolution of an optical beam inside an optically pumped graded-index fiber amplifier. The variational analysis is a semi-analytical method that…
In this paper, we propose a simple but effective semantic part-based weighting aggregation (PWA) for image retrieval. The proposed PWA utilizes the discriminative filters of deep convolutional layers as part detectors. Moreover, we propose…
A new method for numerical solving of boundary problem for ordinary differential equations with slowly varying coefficients which is aimed at better representation of solutions in the regions of their rapid oscillations or exponential…
In this paper, an enhanced Virtual Element Method (VEM) formulation is proposed for plane elasticity. It is based on the improvement of the strain representation within the element, without altering the degree of the displacement…
For large-scale eigenvalue problems requiring many mutually orthogonal eigenvectors, traditional numerical methods suffer substantial computational and communication costs with limited parallel scalability, primarily due to explicit…
We extend the conforming virtual element method to the numerical resolution of eigenvalue problems with potential terms on a polytopal mesh. An important application is that of the Schrodinger equation with a pseudopotential term. This…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
Variational analysis techniques in lattice QCD are powerful tools that give access to the excited state spectrum of QCD. At zero momentum, these techniques are well established and can cleanly isolate energy eigenstates of either positive…
We demonstrate enhanced wave-like character of diffuse photon density waves (DPDW) in an amplifying random medium. The amplifying nature makes it contingent to choose the wave solution that grows inside the amplifying medium, and has a…
Combinatorial optimization problems are central to science and engineering and specialized hardware from quantum annealers to classical Ising machines are being actively developed to address them. These systems typically sample from a fixed…