Related papers: CH-{\pi} interaction-induced deep orbital deformat…
We present a detailed investigation of the electronic structure and bonding characteristics of hydrogen-based molecular systems (\ch{H2+}, \ch{H2}, \ch{H2-}) using the Exact Diagonalization Ab Initio (EDABI) approach within the framework of…
Shapes of biological membranes are dynamically regulated in living cells. Although membrane shape deformation by proteins at thermal equilibrium has been extensively studied, nonequilibrium dynamics have been much less explored. Recently,…
MgB$(p^{n_{\sigma}}p^{n_{\pi}})_{2}$ is classified as a system with strongly interacting $\sigma$-electrons and non-correlated $\pi$-electrons of boron ions. The kinematic and Coulomb interaction V between the orbitally degenerated…
The interaction of two excited hydrogen atoms in metastable states constitutes a theoretically interesting problem because of the quasi-degenerate 2P_{1/2} levels which are removed from the 2S states only by the Lamb shift. The total…
We have studied the prototype hybrid organic-inorganic perovskite CH3NH3PbI3 and its three close relatives, CH3NH3SnI3, CH3NH3PbCl3 and CsPbI3, using relativistic density function theory. The long-range van der Waals (vdW) interactions were…
The $K^{\pi}=8^{-}$ isomeric states and rotational bands in the even-even $N = 150$ isotones with $94 \leqslant Z \leqslant 104$ are investigated by the cranked shell model (CSM) with pairing correlations treated by the…
This paper presents a proposal of a rather new type of effective interatomic interaction for molecular dynamics and similar applications. The model consists of atoms with prescribed geometric arrangement of active orbitals, represented by…
We investigate theoretically the behavior of the current oscillations in an electronic Mach-Zehnder interferometer (MZI) as a function of its source bias. Recently, The MZI interference visibility showed an unexplained lobe pattern behavior…
We have studied the effect of including nearest-neighbor, electron-electron interactions, in particular the off-diagonal (non density-density) terms, on the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,'' focusing on…
Relativistic effects and the role of heavy meson exchange in deuteron photodisintegration are studied systematically for photon energies below the pion production threshold. In a (p/M)-expansion, all leading order relativistic one-body and…
We investigate the many-particle and mean-field correspondence for a non-Hermitian N-particle Bose-Hubbard dimer where a complex onsite energy describes an effective decay from one of the modes. Recently a generalized mean-field…
In this paper we continue our analysis of the interplay between the pairing and the non-Fermi liquid behavior in a metal for a set of quantum-critical (QC) systems with an effective dynamical electron-electron interaction $V(\Omega_m)…
We present a functional renormalization group calculation of the effect of strong interactions on the shape of the Fermi surface of weakly coupled metallic chains. In the regime where the bare interchain hopping is small, we show that…
We present an ab initio investigation of the interaction between methane, its dehydrogenated forms and the cerium oxide surface. In particular, the stoichiometric CeO2(111) surface and the one with oxygen vacancies are considered. We study…
The emergence of the orbital degree of freedom in modern orbitronics offers a promising alternative to heavy metals for the efficient control of magnetization. In this context, identifying interfaces that exhibit orbital-momentum locking…
We have investigated the hydrogen-bonded structures in liquid methanol and a 7:3 mole fraction aqueous solution using classical Molecular Dynamics simulations at 298K and ambient pressure. We find that, in contrast to recent predictions…
Mott insulators with both spin and orbital degeneracy are pertinent to a large number of transition metal oxides. The intertwined spin and orbital fluctuations can lead to rather exotic phases such as quantum spin-orbital liquids. Here we…
We investigate the importance of final state interactions in weak nonleptonic hyperon decays within a relativistic chiral unitary approach based on coupled channels. The effective potentials for meson-baryon scattering are derived from a…
We study the effect of spin-orbit interaction and in-plane effective magnetic field on the conductance of a quasi-one-dimensional ballistic electron system. The effective magnetic field includes the externally applied field, as well as the…
The spin orbit interaction plays a crucial role in diverse fields of condensed matter, including the investigation of Majorana fermions, topological insulators, quantum information and spintronics. In III V zinc blende semiconductor…