相关论文: Semiclassical analysis of the lowest-order multipo…

A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc$-$Fe, constructed from…

The uniform field assumption used to derive semi-classical cutoff energies of $10U_p$ for electron emission and $3.17U_p$ for high harmonic generation is applicable for ponderomotive amplitudes ($\propto E\lambda^2$) much smaller than the…

We study the conditions under which the nucleons inside a deformed nucleus can undergo chaotic motion. To do this we perform self-consistent calculations in semiclassical approximation utilizing a multipole-multipole interaction of the…

For composite systems made of $N$ different particles living in a space characterized by the same deformed Heisenberg algebra, but with different deformation parameters, we define the total momentum and the center-of-mass position to first…

We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…

We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…

Defect physics is at the heart of microelectronics. By keeping track of the reference energy in total energy calculations, we explicitly show that the "potential alignment" correction vanishes, and the classic Markov-Payne correction yields…

Most atomic nuclei are deformed with a quadrupole shape described by its overall strength $\beta_2$ and triaxiality $\gamma$. The deformation can be accessed in high-energy heavy-ion collisions by measuring the collective flow response of…

We report the magnetic dipole and electric quadrupole hyperfine coupling constants of 6 P_{3/2} state of ^{133} Cs(I= {7/2}) obtained from the relativistic coupled cluster (RCC) method. To our knowledge, no prior electric quadrupole…

We present a method to constrain local charge multipoles within density-functional theory. Such multipoles quantify the anisotropy of the local charge distribution around atomic sites and can indicate potential hidden orders. Our method…

We present a computational methodology for a theory of the lowest octupole excitations applicable to all even-even nuclei beyond the lightest. The theory is the well-known generator-coordinate extension (GCM) of the Hartree-Fock-Bogoliubov…

The form factors for the $K_{\ell 3}$ semileptonic decay are computed to order $O(p^4)$ in generalized chiral perturbation theory. The main difference with the standard $O(p^4)$ expressions consists in contributions quadratic in quark…

Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…

Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…

Isotope shifts of the mean square radii (MSR) and electric quadrupole moments of even-even nuclei with 20< Z < 98$ are calculated using a dynamical microscopic model. A single particle Nilsson potential with the Seo set of correction term…

Magnetic form factors corresponding to elastic electron scattering from odd-A nuclei are presented. The calculations are carried out in plane-wave Born approximation. The one-body properties are obtained in a deformed self-consistent…

We investigate the semileptonic decay of $\Omega_b\to\Omega_c~{\ell}\bar\nu_{\ell}$ in three lepton channels. To this end, we use QCD sum rule method in three point framework to calculate the form factors defining the matrix elements of…

A many body Hamiltonian comprising pairing, quadrupole-quadrupole and spin-spin interaction is treated within a projected spherical basis with the aim of describing the detailed structure of the magnetic states of orbital and spin-flip…

Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is…

The two-dimensional antiferromagnetic S=1/2 Heisenberg model with random site dilution is studied using quantum Monte Carlo simulations. Ground state properties of the largest connected cluster on L*L lattices, with L up to 64, are…