Related papers: Accurate Complex Scaling of Three Dimensional Nume…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…
Representing a strongly interacting multi-particle wave function in a finite product basis leads to errors. Simple rescaling of the contact interaction can preserve the low-lying energy spectrum and long-wavelength structure of wave…
In many-body quantum systems, the quantum Fisher information an observer can obtain is susceptible to decoherence. Consequently, quantum enhanced metrology, such as Heisenberg scaling, cannot usually be achieved. We show, via two distinct…
Multidimensional scaling is an important dimension reduction tool in statistics and machine learning. Yet few theoretical results characterizing its statistical performance exist, not to mention any in high dimensions. By considering a…
We use the "tridiagonal representation approach" to solve the time-independent Schr\"odinger equation for bound states in a basis set of finite size. We obtain two classes of solutions written as finite series of square integrable functions…
Multidimensional scaling visualizes dissimilarities among objects and reduces data dimensionality. While many methods address symmetric proximity data, asymmetric and especially three-way proximity data (capturing relationships across…
Potential resonances are usually investigated either directly in the complex energy plane or indirectly in the complex angular momentum plane. Another formulation complementing these two is presented in this work. It is an indirect method…
Density Functional Theory calculations traditionally suffer from an inherent cubic scaling with respect to the size of the system, making big calculations extremely expensive. This cubic scaling can be avoided by the use of so-called linear…
In a recent paper we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions is optimized in situ and therefore adapted to the chemical…
Flow equation methods, more generally known as Similarity Renormalization Group (SRG) techniques, were developed to address multiscale problems where multiple length or energy scales contribute simultaneously. In this Thesis, we formulate…
A brief review is presented of the scaling of complex fluids, polymers and polyelectrolytes in solution and in confined geometry, in thermodynamical, structural and rheology properties using equilibrium and nonequilibrium dissipative…
An exactly solvable position-dependent mass Schr\"odinger equation in two dimensions, depicting a particle moving in a semi-infinite layer, is re-examined in the light of recent theories describing superintegrable two-dimensional systems…
Super-Heisenberg scaling, which scales as $N^{-\beta}$ with $\beta>1$ in terms of the number of particles $N$ or $T^{-\beta}$ in terms of the evolution time $T$, is better than Heisenberg scaling in quantum metrology. It has been proven…
We propose to use the complex-range Gaussian basis functions, {r^l e^{-(1 \pm i\omega)(r/r_n)^2}Y_{lm}(\hat{r}); r_n in a geometric progression}, in the calculation of three-body resonances with the complex-scaling method (CSM) in which use…
We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example, in molecular dynamics simulations within the…
The projection formalism for calculating effective Hamiltonians and resonances is generalized to the nonlocal and/or nonhermitian case, so that it is applicable to the reduction of relativistic systems (Bethe-Salpeter equations), and to…
We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…
This paper presents an efficient parallel direct algorithm with near-optimal complexity for the compact fourth and sixth-order approximation of the three-dimensional Helmholtz equations [1] with the problem coefficient depending on only one…
Quantum metrology enables parameter estimation beyond classical limits by exploiting nonclassical resources such as squeezing and entanglement. In distributed quantum sensing, Heisenberg scaling has been extended from $1/N^2$ to $1/(NM)^2$…