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Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…
Exotic nuclear structures such as bubbles and tori are analyzed through semiclassical extended Thomas-Fermi calculations with the Skyrme force SkM$^*$. The variational equations for neutron and proton densities are solved fully…
In this paper we address the two-body problem in massless Scalar-Tensor (ST) theories within an Effective-One-Body (EOB) framework. We focus on the first building block of the EOB approach, that is, mapping the conservative part of the…
Three-centre nuclear attraction integrals, which arise in density functional and \textit{ab initio} calculations, are one of the most time-consuming computations involved in molecular electronic structure calculations. Even for relatively…
Gausslets are one of the few basis constructions for electronic structure that combine locality, orthonormality, variable resolution, and an accurate diagonal approximation for the electron-electron interaction, but the original…
We present analytical formulas for the calculation of the two-center two-electron integrals in the basis of Slater geminals and products of Slater orbitals. Our derivation starts with establishing a inhomogeneous fourth-order ordinary…
We present a new effective-one-body (EOB) Hamiltonian with next-to-leading order (NLO) spin-spin coupling for black hole binaries endowed with arbitrarily oriented spins. The Hamiltonian is based on the model for parallel spins and…
Molecular orbital (MO) is one of the most fundamental concepts for molecules, relating to all branches of chemistry, while scanning tunneling microscopy (STM) has been widely recognized for its potential to measure the spatial distribution…
Two magnetic atoms, one attached to the tip of a Scanning Tunneling Microscope (STM) and one adsorbed on a metal surface, each constituting a Kondo system, have been proposed as one of the simplest conceivable systems potentially exhibiting…
When skyrmions representing nucleons are put on crystal lattice and compressed to simulate high density, there is a transition above the normal nuclear matter density $n_0$ from a matter consisting of skyrmions with integer baryon charge to…
Librational motion in celestial mechanics is generally associated with the existence of stable resonant configurations and signified by the existence of stable periodic solutions and oscillation of critical (resonant) angles. When such an…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
We construct by geometric methods a noncommutative model E of the algebra of regular functions on the universal (2-fold) cover M of certain nilpotent coadjoint orbits O for a complex simple Lie algebra g. Here O is the dense orbit in the…
We applied the finite-size scaling method using the B-splines basis set to construct the stability diagram for two-electron atoms with a screened Coulomb potential. The results of this method for two electron atoms are very accurate in…
An eikonal expansion is used to provide systematic corrections to the eikonal approximation through order $1/k^2$, where $k$ is the wave number. Electron wave functions are obtained for the Dirac equation with a Coulomb potential. They are…
The choice of molecular orbitals is decisive in configuration interaction calculations. In this letter, a democratic description of the ground and excited states follows an orthogonally constrained orbitals optimization to produce…
In this Book Chapter (invited) we briefly review the basic concepts defining topological insulators and focus on elaborating on the key experimental results that revealed and established their symmetry protected (SPT) topological nature. We…
We give a constructive proof of the existence of lower dimensional elliptic tori in nearly integrable Hamiltonian systems. In particular we adapt the classical Kolmogorov's normalization algorithm to the case of planetary systems, for which…
The article contains a summary of fundamentals of the perturbational non- canonical molecular orbital (PNCMO) theory formerly developed by the author. In some respects, the PNCMO theory is a generalization of the well-known simple PMO…
Electrical Impedance Tomography (EIT) is a non-invasive imaging modality that has earned significant attention for its potential in real-time monitoring of various physiological parameters. Despite its promise, the sensitivity and…