Related papers: Curvilinear coordinates for full-core atoms
Within the Local Unitarity formalism, any physical cross-section is re-written in such a way that cancellations of infrared singularities between real and virtual contributions are realised locally. Consequently, phase-space and loop…
A multiscale approach was adopted for the calculation of confined states in self-assembled semiconductor quantum dots (QDs). While results close to experimental data have been obtained with a combination of atomistic strain and…
Harmonic slicing has in recent years become a standard way of prescribing the lapse function in numerical simulations of general relativity. However, as was first noticed by Alcubierre (1997), numerical solutions generated using this…
Recent advances in hydrogen lithography on silicon surfaces now enable the fabrication of complex and error-free atom-scale circuitry. The structure of atomic wires, the most basic and common circuit elements, plays a crucial role at this…
Structural information in the local electric field produced by helical charge distributions, such as dissolved DNA, is revealed in a straightforward manner employing cylindrical coordinates. Comparison of structure factors derived in terms…
In 1909, Millikan showed that the charge of electrically isolated systems is quantized in units of the elementary electron charge e. Today, the persistence of charge quantization in small, weakly connected conductors allows for circuits…
Devices built using circuit quantum electrodynamics architectures are one of the most popular approaches currently being pursued to develop quantum information processing hardware. Although significant progress has been made over the…
We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…
Measuring charge fluctuations within a subregion provides a powerful probe of quantum many-body systems. In two spatial dimensions, the shape dependence of the dimensionless corner contribution encodes universal data of quantum critical…
Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…
Variational Monte Carlo calculations of the quasielectron and quasihole excitation energies in the fractional quantum Hall effect have been carried out at filling fractions $\nu=1/3$, 1/5, and 1/7. For the quasielectron both the trial wave…
We develop a novel approach for efficiently applying variational quantum linear solver (VQLS) in context of structured sparse matrices. Such matrices frequently arise during numerical solution of partial differential equations which are…
We evaluated the total electron chirality in alanine, serine, and valine, which are molecules that have chiral structures. Previously, it has been considered that the total electron chirality of molecules composed of only light elements…
Power cables have complex geometries in order to reduce their ac resistance. Although there are many different cable designs, most have in common that their inner conductors' cross-section is divided into several electrically insulated…
Carbon quantum dots (CQDs) are a promising material for electronic applications due to their easy fabrication and interesting semiconductor properties. Further, CQDs exhibit quantum confinement and charging effects, which may lead not only…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…
The analog electronic computers are a type of circuitry used to calculate specific problems using the physical relationships between the voltages and currents following classical laws of physics. One specific class of these circuits are…
The use of kernel functions is a common technique to extract important features from data sets. A quantum computer can be used to estimate kernel entries as transition amplitudes of unitary circuits. Quantum kernels exist that, subject to…
We have reformulated the quantum Monte Carlo (QMC) technique so that a large part of the calculation scales linearly with the number of atoms. The reformulation is related to a recent alternative proposal for achieving linear-scaling QMC,…