Related papers: Orbital Collapse in Exotic Atoms and Its Effect on…
The discovery of exotic mounic atoms, including antimatter hydrogen muonic atoms and kaon mounic atoms, constitutes a milestone in our ability to make and study new forms of matter. Relativistic heavy-ion collisions provide the only likely…
It is well-known experimentally that the positively-charged muon and the muonium atom may bind to molecules and solids, and through muon$'$s magnetic interaction with unpaired electrons, valuable information on the local environment…
Quantum-mechanical calculations of muon transfer between muonic hydrogen and an oxygen nuclei for $s$ waves and collision energies in the range $10^{-3} - 10^3$ eV, are presented. Close-coupling time-independent Schr\"odinger equations,…
The on-site Coulomb potential, U, and the covalent state of electronic orbitals play key roles for the Cooper pair symmetry and exotic electromagnetic properties of high-Tc superconducting cuprates. In this paper, we demonstrate a way to…
In the mean-field approximation, the well-known effect of the critical quantum collapse in a 3D gas of particles pulled to the center by potential U(r) = -U_0/r^2 is suppressed by repulsive interparticle interactions, which create the…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
We present a formulation and implementation of the DFT+\textit{U} method within the framework of linear combination of numerical atomic orbitals (NAO). Our implementation not only enables single-point total energy and electronic-structure…
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…
Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A Natural Orbital Density Functional Theory based on the antisymmetrized geminal product provides these occupation numbers and the…
Muon-induced fission could be utilized as a probe to study the underlying dynamics of nuclear fission. The probability of muon attachment to the light asymmetric fission fragment is sensitive to fission dynamics, such as the timescale and…
Differential cross sections of the Coulomb deexcitation in the collisions of excited muonic hydrogen with the hydrogen atom have been studied for the first time. In the framework of the fully quantum-mechanical close-coupling approach both…
While density functional theory (DFT) is widely applied for its combination of cost and accuracy, corrections (e.g., DFT+U) that improve it are often needed to tackle correlated transition-metal chemistry. In principle, the functional form…
We develop a framework for the formation of exotic muonic kaon atoms ($K\mu$) in semileptonic $D^{0}$ decays, using the effective weak Hamiltonian, a helicity-based treatment of the leptonic current, and a nonrelativistic bound-state…
Total Ordinary Muon Capture (OMC) rates are calculated on the basis of the Quasiparticle Random Phase Approximation for several spherical nuclei from 90^Zr to 208^Pb. It is shown that total OMC rates calculated with the free value of the…
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O \left( 1/ c^2 \right) $, is introduced to density functional theory (DFT) based on the non-relativistic…
We study the nonlinear evolution of matter overdensities using the spherical collapse model in degenerate higher-order scalar-tensor (DHOST) theories beyond Horndeski, employing the effective field theory (EFT) of dark energy approach. We…
The electronic bound states and resonances in the vicinity of the Dirac point energy due to the adsorption of calcium dimers on a suspended graphene monolayer are explored theoretically using density functional theory (DFT) and an improved…
While a specific kind of strange metal is increasingly found to be the "normal" states in a wide variety of unconventional superconductors, its microscopic origin is presently a hotly debated enigma. Using dynamical mean-field theory (DMFT)…
In pursuit of a colloidal analogue to quantum density functional theory (DFT) predictions of atomic crystal structures, we report a new, classical DFT that predicts the relative thermodynamic stability of colloidal crystals of hard, convex…
LiV_2 O_4 is one of the most puzzling compounds among transition metal oxides because of its heavy fermion like behavior at low temperatures. In this paper we present results for the orbital state and magnetic properties of LiV_2 O_4…