Related papers: Comment to "Comment on 'Unified treatment for the …
We calculate complete basis set (CBS) limit extrapolated ionization potentials (IP) and electron affinities (EA) with Slater Type Basis sets for the molecules in the GW100 database. To this end, we present two new Slater Type orbital (STO)…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
We derive a multi-band formulation of the orbital magnetization in a normal periodic insulator (i.e., one in which the Chern invariant, or in 2d the Chern number, vanishes). Following the approach used recently to develop the single-band…
We study orbit-finite systems of linear equations, in the setting of sets with atoms. Our principal contribution is a decision procedure for solvability of such systems. The procedure works for every field (and even commutative ring) under…
The need for large-scale electronic structure calculations arises recently in the field of material physics and efficient and accurate algebraic methods for large simultaneous linear equations become greatly important. We investigate the…
We present a real-space spectral method for computing the orbital magnetization of crystals. Starting from the commutator form of the orbital magnetization operator, we formulate an energy-resolved spectral function that is amenable to…
In recent work, we initiated a research program aimed at the systematic investigation of quantum superintegrable systems describing the interaction of two non-relativistic spin-$1/2$ particles in three-dimensional Euclidean space. In that…
We present a new method for computing orbits in the perturbed two-body problem: the position and velocity vectors of the propagated object in Cartesian coordinates are replaced by eight orbital elements, i.e., constants of the unperturbed…
We formulate a general prescription for spurion analysis in particle-physics models whose selection rules are described by commutative non-invertible fusion algebras. The construction applies to fusion algebras containing non-invertible…
Nonlinear spectroscopy is a cornerstone of quantum science, providing unique access to multi-point correlations, quantum coherence, and couplings that are invisible to linear methods. However, classical simulation of these phenomena is…
Addition theorems are principal tools that express a function $f (\bm{r} \pm \bm{r}')$ in terms of products of other functions that only depend on either $\bm{r}$ or $\bm{r}'$. The best known example of such an addition theorem is the…
We report on a program for the numerical evaluation of divergent multi-loop integrals. The program is based on iterated sector decomposition. We improve the original algorithm of Binoth and Heinrich such that the program is guaranteed to…
The advance of the pericenter of the orbit of a test body around a massive body in general relativity can be calculated in a number of ways. In one method, one studies the geodesic equation in the exact Schwarzschild geometry and finds the…
We provide an algorithm for evolving general spin-$s$ Gross-Pitaevskii / non-linear Schr\"odinger systems carrying a variety of interactions, where the $2s+1$ components of the `spinor' field represent the different spin-multiplicity…
Lie-integration is one of the most efficient algorithms for numerical integration of ordinary differential equations if high precision is needed for longer terms. The method is based on the computation of the Taylor-coefficients of the…
We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B…
In a very recent manuscript [arXiv:1403.6035], Castro and Oliveira have commented on our recently published paper [2]. Their main criticism is that we have used an improper nonminimal interaction term. Regarding their work, we wish to…
Complete waveform models able to account for arbitrary non-planar orbits represent a holy grail in current gravitational-wave astronomy. Here, we take a step towards this direction and present a simple yet efficient prescription to obtain…
We solve crossing equations analytically in the deep Euclidean regime. Large scaling dimension $\Delta$ tails of the weighted spectral density of primary operators of given spin in one channel are matched to the Euclidean OPE data in the…
In nuclei with valence nucleons are say identical nucleons and say these nucleons occupy several-$j$ orbits, then it is possible to consider pair creation operator $S_+$ to be a sum of the single-$j$ shell pair creation operators $S_+(j)$…