Related papers: Electrostatics-based finite-size correction for fi…
An analysis is made of various methods of phenomenological renormalization based on finite-size scaling equations for inverse correlation lengths, the singular part of the free energy density, and their derivatives. The analysis is made…
We introduce and motivate the method of effective charges, and consider how to implement an all-orders resummation of large kinematical logarithms in this formalism. Fits for QCD \Lambda and power corrections are performed for the e+e-…
Although electrostatics can be incorporated into machine-learned interatomic potentials, existing approaches are computationally very demanding, limiting large-scale, long-time simulations of electrostatics-driven phenomena such as…
Electrochemical devices often charge both through Faradaic reactions and electric double layer formation. Here, we study these coupled processes in a model system of a long electrolyte-filled pore subject to a small suddenly-applied…
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a…
We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion…
Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…
Error estimates are rigorously derived for a semi-discrete version of a conservative spectral method for approximating the space-homogeneous Fokker-Planck-Landau (FPL) equation associated to hard potentials. The analysis included shows that…
We introduce a new augmented adaptation of the recently developed full coupled-cluster reduction (FCCR) with a second-order perturbative correction, abbreviated as FCCR(2). FCCR is a selected coupled-cluster expansion aimed at optimally…
We calculate the self-energy and the vertex radiative corrections to the effect of parity nonconservation in heavy atoms. The sum of the corrections is of the form ${\cal A}\ln(\lambda_C/r_0)+{\calB}$, where ${\cal A}$ and ${\cal B}$ are…
Recent and upcoming experimental data as well as the possibility of rich phenomenology have spiked interest in studying the quantum effects in cosmology at low (inflation-era) energy scales. One of the approaches to find covariant quantum…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
The simplest, algebraic quantum-electrodynamical corrections, due to the double-negative energy subspace and instantaneous interactions, are computed to the no-pair energy of two-spin-1/2-fermion systems. Numerical results are reported for…
In order to interpret precise measurements of molecular properties the finite nuclear mass corrections to the Born-Oppenheimer approximation have to be accounted for. It is shown that they can be obtained systematically in the perturbative…
Extreme Ultraviolet (EUV) lithography is the state-of-the-art process in semiconductor fabrication, yet its spatial resolution is fundamentally limited by the ``blur'' originating from absorption of photons at 92 eV, which induce physical…
Highly accurate potential energy surfaces are of key interest for the detailed understanding and predictive modeling of chemical systems. In recent years, several new types of force fields, which are based on machine learning algorithms and…
We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier…
The electric dipole transitions $\chi_{bJ}(1P)\to \gamma\Upsilon(1S)$ with $J=0,1,2$ and $h_{b}(1P)\to \gamma\eta_{b}(1S)$ are computed using the weak-coupling version of a low-energy effective field theory named potential non-relativistic…
The measurement of the charge asymmetry $A_{FB}(e^-e^+\to \mu^-\mu^+)$ will play an important role at the high-luminosity circular electron-positron collider FCCee considered for construction at CERN. In particular, near the Z resonance,…
We propose an adaptive regularization scheme in a variational framework where a convex composite energy functional is optimized. We consider a number of imaging problems including denoising, segmentation and motion estimation, which are…