Related papers: Direct evaluation of overlap integrals between Sla…
Single-particle overlap functions and spectroscopic factors are calculated on the basis of the one-body density matrices (ODM) obtained for the nucleus $^{16}O$ employing different approaches to account for the effects of correlations. The…
Integration of electron spin resonance (ESR) in a scanning tunneling microscope (STM) has enabled an all-electrical control of atomic and molecular spins on solid surfaces with atomic-scale precision and energy resolution beyond thermal…
We find closed formulas for the overlaps of Bethe eigenstates of $\mathfrak{gl}(N)$ symmetric spin chains and integrable boundary states. We derive the general overlap formulas for $\mathfrak{gl}(M)\oplus\mathfrak{gl}(N-M)$ symmetric…
We present a simple, accurate method for computing singular or nearly singular integrals on a smooth, closed surface, such as layer potentials for harmonic functions evaluated at points on or near the surface. The integral is computed with…
We present a novel method to compute the overlap Dirac operator at zero and nonzero quark chemical potential. To approximate the sign function of large, sparse matrices, standard methods project the operator on a much smaller Krylov…
Analytical approach to SLAM problem was introduced in the recent years. In our work we investigate the method numerically with the motivation of using the algorithm in a real hardware experiments. We perform a robustness test of the…
In this work, the transition matrix elements for inelastic electron--electron scattering are investigated. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in…
We propose smooth $q$-gram, the first variant of $q$-gram that captures $q$-gram pair within a small edit distance. We apply smooth $q$-gram to the problem of detecting overlapping pairs of error-prone reads produced by single molecule real…
Several algorithms have been proposed to calculate the spatial entanglement spectrum from high order Renyi entropies. In this work we present an alternative approach for computing the entanglement spectrum with quantum Monte Carlo for both…
Atomic orbitals underpin our understanding of electronic structure, providing intuitive descriptions of bonding, charge transfer, magnetism, and correlation effects. Despite their utility, an atomic basis that is adaptable, strictly…
We derive an analytic expression for the scalar one-loop pentagon and hexagon functions which is convenient for subsequent numerical integration. These functions are of relevance in the computation of next-to-leading order radiative…
This paper reviews the standard algorithm for converting spacecraft state vectors to Keplerian orbital elements with a focus on its computer implementation. It analyzes the shortcomings of the scheme as described in the literature, and…
We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex Gaussian Type Orbitals, such integrals can be performed…
Steepest descent methods combining complex contour deformation with numerical quadrature provide an efficient and accurate approach for the evaluation of highly oscillatory integrals. However, unless the phase function governing the…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
In pursuit of a minimal basis for systems with non-ideal bond angles, in this work we try to pinpoint the exact orientation of the major overlapping orbitals along the nearest neighbouring coordination segments in a given system such that…
The spherical Radon transform (SRT) is an integral transform that maps a function to its integrals over concentric spherical shells centered at specified sensor locations. It has several imaging applications, including synthetic aperture…
We discuss how one calculates the coherent path integrals for locally interacting systems, where some inconsistencies with exact results have been reported previously. It is shown that the operator ordering subtlety that is hidden in the…
We describe an algorithm for long-term planetary orbit integrations, including the dominant post-Newtonian effects, that employs individual timesteps for each planet. The algorithm is symplectic and exhibits short-term errors that are…
In this paper, we outline a method to compute supersymmetric one-loop integrands in ten-dimensional SYM theory. It relies on the constructive interplay between their cubic-graph organization and BRST invariance of the underlying pure spinor…