相关论文: Transferability of self-energy correction in tight…

Single-electron pumps based on semiconductor quantum dots are promising candidates for the emerging quantum standard of electrical current. They can transfer discrete charges with part-per-million (ppm) precision in nanosecond time scales.…

Coupled cluster theory with a Kohn-Sham reference (KS-CC) can dramatically outperform its Hartree-Fock counterpart for strongly correlated systems, but the origin of these improvements has remained unclear. Here we demonstrate that these…

Low-energy $\mu$SR (LE-$\mu$SR) enables depth-resolved studies of magnetic and electronic properties from the surface into the near-surface region, but the measured transverse-field asymmetry is not an intrinsic constant and depends on…

The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…

We visualize the Kohn-Sham kinetic energy density (KED), and the ingredients -- the electron density, its gradient and Laplacian -- used to construct orbital-free models of it, for the AE6 test set of molecules. These are compared to…

Realizing a controllable network with multiple degrees of interaction is a challenge to physics and engineering. Here, we experimentally report an on-chip reconfigurable network based on nanoelectromechanical resonators with…

In this paper, energy efficient power control for small cells underlaying a macro cellular network is investigated. We formulate the power control problem in self-organizing small cell networks as a non-cooperative game, and propose a…

Single-particle methods based on Kohn-Sham unoccupied states to describe near-edge X-ray absorption (XAS) spectra are routinely applied for the description of K-edge spectra, as there is no complication due to spin-orbit (SO) coupling. L-…

As renewable energy is becoming the major resource in future grids, the weather and climate can have a higher impact on grid reliability. Transmission expansion planning (TEP) has the potential to reinforce a transmission network that is…

It is well known that the self-consistent field (SCF) iteration for solving the Kohn-Sham (KS) equation often fails to converge, yet there is no clear explanation. In this paper, we investigate the SCF iteration from the perspective of…

We extend some of the well established self-interaction correction (SIC) schemes of density-functional theory to the case of systems with noncollinear magnetism. Our proposed SIC schemes are tested on a set of molecules and metallic…

Single Electron Transistors (SETs) are nanoscale electrometers of unprecedented sensitivity, and as such have been proposed as read-out devices in a number of quantum computer architectures. We show that the functionality of a standard SET…

Mitigating measurement errors in quantum systems without relying on quantum error correction is of critical importance for the practical development of quantum technology. Deep learning-based quantum measurement error mitigation has…

Can robustness against experimental imperfections and noise be embedded into a quantum simulation? In this paper, we report on a special case in which this is possible. A spin chain can be engineered such that, in the absence of…

We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…

We consider radiative corrections to polarization observables in elastic electron-proton scattering, in particular, for the polarization transfer measurements of the proton form factor ratio $\mu G_E/G_M$. The corrections are of two types:…

The fundamental gap of an interacting many-electron system is given by the sum of the single-particle Kohn-Sham gap and the derivative discontinuity. The latter can be generated by advanced approximations to the exchange-correlation (XC)…

Scanning Transmission Electron Microscopy (STEM) offers high-resolution images that are used to quantify the nanoscale atomic structure and composition of materials and biological specimens. In many cases, however, the resolution is limited…

The linear matter power spectrum $P(k,z)$ connects theory with large scale structure observations in cosmology. Its scale dependence is entirely encoded in the matter transfer function $T(k)$, which can be computed numerically by Boltzmann…

To build a global quantum communication network, low-transmission, fiber-based communication channels can be supplemented by using a free-space channel between a satellite and a ground station on Earth. We have constructed a system that…