Related papers: How specific exponential type orbitals recently be…

We perform a detailed analysis of the different types of orbits in the Coulomb Quantum Orbit Strong-field Approximation (CQSFA), ranging from direct to those undergoing hard collisions. We show that some of them exhibit clear counterparts…

The equations derived help to evaluate semi-analytically (mostly for k=1,2 or 3) the important Coulomb integrals Int rho(r1)...rho(rk) W(r1,...,rk) dr1...drk, where the one-electron density, rho(r1), is a linear combination (LC) of Gaussian…

Electron scattering is a tool that can provide relatively clean view of the nuclear structure in both ground and excited states, as it depends on the well-known electromagnetic interaction. But since the common expressions for its cross…

Effective field theory (EFT) is generalized to investigate the rotational motion of triaxially deformed even-even nuclei. A Hamiltonian, called the triaxial rotor model (TRM), is obtained up to next-to-leading order (NLO) within the EFT…

We employ an effective field theory (EFT) that exploits the separation of scales in the p-wave halo nucleus $^8\mathrm{B}$ to describe the process $^7\mathrm{Be}(p,\gamma)^8\mathrm{B}$ up to a center-of-mass energy of 500 keV. The…

Coulomb dissociation is an especially simple and important reaction mechanism. Since the perturbation due to the electric field of the (target) nucleus is exactly known, firm conclusions can be drawn from such measurements. Electromagnetic…

The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…

The set of Gaussian Type Orbitals g(n1,n2,n3) of order (n+1)(n+2)/2, of common n=n1+n2+n3<=7, common center and exponential, is customized to define a set of 2n+1 linear combinations t(n,m) (-n<=m<=n) such that each t(n,m) depends on the…

We investigate the ability of mechanical and electronic density functional theory (DFT)-based embedding approaches to describe the solvent effects on nuclear magnetic resonance (NMR) shielding constants of the $^{95}$Mo nucleus in the…

The objective of this paper is to apply the well-known exact operational matrices (EOMs) idea for solving the Emden-Fowler equations, illustrating the superiority of EOMs versus ordinary operational matrices (OOMs). Up to now, a few studies…

Spin- or orbital-selective behaviours in correlated electron materials offer rich promise for spintronics or orbitronics phenomena and applications deriving from them. Strong local electronic Coulomb correlations might lead to an…

In a recent publication (Telhat Ozdogan, Int. J. Quantum Chem., 92 (2003) 419), we presented a unified algorithm for the evaluation of multicenter multielectron integrals over Slater type orbitals with noninteger principal quantum numbers,…

This work explores the behaviour of demagnetizing tensors for general ellipsoids under arbitrary rotations in homogeneous magnetic fields. The work is motivated by the concerns in magnetic resonance imaging safety and their practical…

We revisit the coalescence behavior of the atomic Schr\"odinger wave functions from the angle of an operator product expansion (OPE) within the nonrelativistic Coulomb-Schr\"odinger effective field theory. We take the electron-nucleus…

The processes of hole localization in double-doped PbWO_4:Mo,La and PbWO_4:Mo,Y single crystals have been studied by continuous wave and pulse electron spin resonance (ESR) and thermally stimulated luminescence (TSL) methods. We show that…

We study breaking stress of deformed Coulomb crystals in a neutron star crust, taking into account electron plasma screening of ion-ion interaction; calculated breaking stress is fitted as a function of electron screening parameter. We…

The problem of Coulomb breakup in the scattering of a two-body loosely bound projectile by a heavy target is addressed. A basis of transformed harmonic oscillator (THO) wave functions is used to discretize the projectile continuum and to…

Based on the eigenvector continuation, which is mathematically an instance of the reduced basis method (RBM), we construct an emulator for coupled-channels calculations for heavy-ion fusion reactions at energies around the Coulomb barrier.…

Solid state nuclear magnetic resonance (ss-NMR) is one of the most sensitive and popular techniques for structure elucidation in geometrically complex crystalline materials, such as zeolites. Synergistic support from computational modelling…

The purpose of this paper is to introduce techniques of obtaining optimal ways to determine a d-level quantum state or distinguish such states. It entails designing constrained elementary measurements extracted from maximal abelian subsets…