Related papers: Separable Dual Space Gaussian Pseudo-potentials
A generator of spatio-temporal pseudo-random Gaussian fields that satisfy the "proportionality of scales" property (Tsyroulnikov, 2001) is presented. The generator is based on a third-order in time stochastic differential equation with a…
Surprisingly, differentiable functions are able to oscillate arbitrarily faster than their highest Fourier component would suggest. The phenomenon is called superoscillation. Recently, a practical method for calculating superoscillatory…
The GW method is a many-body electronic structure technique capable of generating accurate quasiparticle properties for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is not routinely applied to…
Quantum computers are analog devices; thus they are highly susceptible to accumulative errors arising from classical control electronics. Fast operation--as necessitated by decoherence--makes gating errors very likely. In most current…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
The notion of a double well potential typically involves two regions of space separated by a repulsive potential barrier. The solution is a wave function that is suppressed in the barrier region and localized in the two surrounding regions.…
The pseudospherical functions on one-sheet, two-dimensional hyperboloid are discussed. The simplest method of construction of these functions is introduced using the Fock space structure of the representation space of the su(1,1) algebra.…
The success of first principles electronic structure calculation for predictive modeling in chemistry, solid state physics, and materials science is constrained by the limitations on simulated length and time scales due to computational…
The generalized pseudopotential theory (GPT) is a powerful method for deriving real-space transferable interatomic potentials. Using a coarse-grained electronic structure, one can explicitly calculate the pair ion-ion and multi-ion…
Discretizing an analytic function on a uniform real-space grid is often done via a straightforward collocation method. This is ubiquitous in all areas of computational physics and quantum chemistry. An example in Density Functional Theory…
The study of effective potential for the scalar Lee-Wick pseudo-electrodynamics in one-loop is presented in this letter. The planar and non-local Lee-Wick pseudo-electrodynamics is so coupled to a complex scalar field sector in 1+2…
Modern day engineering problems are ubiquitously characterized by sophisticated computer codes that map parameters or inputs to an underlying physical process. In other situations, experimental setups are used to model the physical process…
Over the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In this approach, rather than discretizing the partial…
Pseudo-differential and Fourier series operators on the n-torus are analyzed by using global representations by Fourier series instead of local representations in coordinate charts. Toroidal symbols are investigated and the correspondence…
Quantum computation strongly relies on the realisation, manipulation and control of qubits. A central method for realizing qubits is by creating a double-well potential system with a significant gap between the first two eigenvalues and the…
Multivariate global polynomial approximations - such as polynomial chaos or stochastic collocation methods - are now in widespread use for sensitivity analysis and uncertainty quantification. The pseudospectral variety of these methods uses…
Increasingly larger data sets of processes in space and time ask for statistical models and methods that can cope with such data. We show that the solution of a stochastic advection-diffusion partial differential equation provides a…
We present an alternative method to filter a distribution, that is strictly confined within a sphere of given radius $r_c$, so that its Fourier transform is optimally confined within another sphere of radius $k_c$. In electronic structure…
A new, very fast, implementation of the exact (Fock) exchange operator for electronic structure calculations within the plane-wave pseudopotential method is described in detail for both molecular and periodic systems, and carefully…
We importantly amend a certain parenthetical remark made in Part I (arXiv:0806.3294), to the effect that although two-qubit diagonal-entry-parameterized separability functions had been shown (arXiv:0704.3723) to clearly conform to a pattern…