Related papers: Improved sensitivity and quantification for ${}^{2…
The Electric Dipole Moment of the electron (eEDM) is typically investigated in experiments using paramagnetic molecules. However, the physical observable in these searches consists in a linear combination of CP-violating interactions,…
Density functional theory (DFT) is used to study vibrations, electrical dipole moments, and polarizabilities of NaF clusters. Because of prior experimental and theoretical studies, this is a good model system for tracking the evolution of…
A prototype experiment to measure the neutron electric dipole moment (nEDM) by spin-rotation in a non-centrosymmetric crystal in Laue geometry was carried out in order to investigate the statistical sensitivity and systematic effects of the…
We develop the uniform sparse Fast Fourier Transform (usFFT), an efficient, non-intrusive, adaptive algorithm for the solution of elliptic partial differential equations with random coefficients. The algorithm is an adaption of the sparse…
At the Paul Scherrer Institute (PSI) we are developing a high precision instrument to measure the muon electric dipole moment (EDM). The experiment is based on the frozen-spin method in which the spin precession induced by the anomalous…
A DFT-based method is presented which allows the computation of all-electron NMR shifts of metallic compounds with periodic boundary conditions. NMR shifts in metals measure two competing physical phenomena. Electrons interact with the…
The ability to sense and control nuclear spins near solid-state defects might enable a range of quantum technologies. Dynamically Decoupled Radio-Frequency (DDRF) control offers a high degree of design flexibility and long electron-spin…
The ENUF method, i.e., Ewald summation based on the Non-Uniform FFT technique (NFFT), is implemented in Dissipative Particle Dynamics (DPD) simulation scheme to fast and accurately calculate the electrostatic interactions at mesoscopic…
We present a spin-dependent extension of the non-orthogonal generalized Wannier function (NGWF) formalism within the framework of linear-scaling density functional theory (LS-DFT) as implemented in the ONETEP code. In traditional LS-DFT…
We report experimental implementation of discrete Fourier transformation(DFT) on a nuclear magnetic resonance(NMR) quantum computer. Experimental results agree with theoretical results. Using the pulse sequences we introduced, DFT can be…
We unify the Perdew-Zunger self-interaction correction (PZSIC) to approximate density functional theory (DFT), the Hubbard correction DFT+U, and Rung 3.5 functionals within the Adiabatic Projection formalism. We modify the Kohn-Sham…
Qudits hold great promise for efficient quantum computation and the simulation of high-dimensional quantum systems. Utilizing a local Hilbert space of dimension d > 2 is known to speed up certain quantum algorithms relative to their qubit…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
The Standard Model Effective Field Theory (SMEFT) provides a robust framework to interpret experimental measurements in the context of new physics scenarios while minimising assumptions on the nature of the underlying UV-complete theory. We…
Spin squeezing can increase the sensitivity of interferometric measurements of small signals in large spin ensembles beyond the standard quantum limit. In many practical settings, the ideal metrological gain is limited by imperfect readout…
Quantum metrology makes use of coherent superpositions to detect weak signals. While in principle the sensitivity can be improved by increasing the density of sensing particles, in practice this improvement is severely hindered by…
We have parameterized a reactive force field (ReaxFF) for lithium aluminum silicates using density functional theory (DFT) calculations of structural properties of a number of bulk phase oxides, silicates, and aluminates, as well as of…
A coupled dielectric-metal metasurface (CDMM) consisting of amorphous silicon (a-$\textit{Si}$) rings and subwavelength holes in $\textit{Au}$ layer separated by a $\textit{SiO}_{2}$ layer is presented. The design parameters of the CDMM is…
The efficiency of dipole-dipole coupling driven coherence transfer experiments in solid-state NMR spectroscopy of powder samples is limited by dispersion of the orientation of the internuclear vectors relative to the external magnetic…
An improved measurement of the electron electric dipole moment (EDM) appears feasible using ground-state alkali atoms in an atomic fountain in which a strong electric field, which couples to a conceivable electron dipole moment (EDM), is…