Related papers: Electronic structure calculations with interpolati…
We report the computational discovery of complex, topologically charged, and spectrally stable states in three-dimensional multi-component nonlinear wave systems of nonlinear Schr{\"o}dinger type. While our computations relate to…
We propose differential observables for $pp \to Z(\ell^+\ell^-)h(b\bar{b})$ that can be used to completely determine the tensor structure of the $hZZ^*/hZ\bar{f}f$ couplings relevant to this process in the dimension-6 SMEFT. In particular,…
Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are…
We investigate the Helmholtz equation with suitable boundary conditions and uncertainties in the wavenumber. Thus the wavenumber is modeled as a random variable or a random field. We discretize the Helmholtz equation using finite…
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…
Electronic structure calculations for compressed molecular hydrogen are performed to provide more insight into the diversity of phenomena recently observed experimentally. We perform full-potential LAPW calculations and analyze them in…
We have realized a hybrid solid-state quantum device in which a single-electron semiconductor double quantum dot is dipole coupled to a superconducting microwave frequency transmission line resonator. The dipolar interaction between the two…
New techniques in core-electron spectroscopy are necessary to resolve the structures of oxides of $f$-elements and other strongly correlated materials that are present only as powders and not as single crystals. Thus, accurate quantum…
In wavelet based electron structure calculations introducing a new, finer resolution level is usually an expensive task, this is why often a two-level approximation is used with very fine starting resolution level. This process results in…
The Helmholtz equation with variable wavenumbers is challenging to solve numerically due to the pollution effect, which often results in a huge ill-conditioned linear system. In this paper, we present a high-order wavelet Galerkin method to…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…
Former results for a Tight-Binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main…
The nonrelativistic hydrogen atom in $D=3-2\epsilon$ dimensions is the reference system for perturbative schemes used in dimensionally regularized nonrelativistic effective field theories to describe hydrogen-like atoms. Solutions to the…
Nuclear electric dipole moments of $^{3}He$ and $^{3}H$ are calculated using Time Reversal Invariance Violating (TRIV) potentials based on the meson exchange theory, as well as the ones derived by using pionless and pionful effective field…
This paper presents analytical solutions for eigenvalues and eigenfunctions of the Schr\"odinger equation in higher dimensions, incorporating the Dunkl operator. Two fundamental quantum mechanical problems are examined in their exact forms:…
The calculation of nuclear electromagnetic sum rules by directly diagonalizing the nuclear Hamiltonian in a large basis is numerically challenging and has not been performed for $A>2$ nuclei. With the significant progress of high…
The effects on the non-relativistic dynamics of a system compound by two electrons interacting by a Coulomb potential and with an external harmonic oscillator potential, confined to move in a two dimensional Euclidean space, are…
We study dynamically coupled one-dimensional Bose-Hubbard models and solve for the wave functions and energies of two-particle eigenstates. Even though the wave functions do not directly follow the form of a Bethe Ansatz, we describe an…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…