相关论文: Analytical Potential Energy Function for the Groun…

The magnetic, electronic, and optical properties of rare earth-oxides are directly influenced by the valency of the metallic cation. With the development of next generation electron energy-loss spectrometers, high-energy lanthanide fine…

We construct an equation of state for Quantum Chromodynamics (QCD) at finite temperature and chemical potentials for baryon number $B$, electric charge $Q$ and strangeness $S$. We use the Taylor expansion method, up to the fourth power for…

Multiple energy minima of the LDA+U energy functional are obtained for $\gamma$-Ce when it is implemented in a full potential, rotationally invariant scheme including spin-orbit coupling, and different starting local configurations are…

Within the framework of the local electron density functional theory, an ab-initio method is proposed that takes into account the self-interaction energy correction (SIC) for the crystal potential. The principle of dividing the unit cell…

Motivated by the indications of time-varying dark energy equation of state reported from DESI, we investigate a quintessence model with an exponential potential $V_0 e^{-\lambda\phi/m_{\mathrm{pl}}}$. We derive an analytical relationship…

We derive an analytical expression for $s$-state exciton energies in monolayer transition-metal dichalcogenides (TMDCs): $E_{\text{ns}}=-{\text{Ry}}^*\times P_n/{(n-1/2+0.479\, r^*_0/\kappa)^2}$, $n=1,2,...$, where $r^*_0$ and $\kappa$ are…

Ground-state energies of the one- and two-electron uranium dimers are calculated for internuclear distances in the range D=40--1000 fm and compared with the previous calculations. The generalization of the dual-kinetic-balance approach for…

The modified local spin density functional and the related local potential for excited states is tested by employing the ionization potential theorem. The functional is constructed by splitting $k$-space. Since its functional derivative…

Approximate bound state solutions of the Dirac equation with -deformed Woods-Saxon plus a new generalized ring-shaped potential are obtained for any arbitrary L-state. The energy eigenvalue equation and corresponding two-component wave…

Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…

We propose a new quantum computational way of obtaining a ground-state energy and expectation values of observables of interacting Hamiltonians. It is based on the combination of the adiabatic quantum evolution to project a ground state of…

We present systematic calculations of energy levels of the $1s^22l$ and $1s2l2l'$ states of ions along the lithium isoelectronic sequence from carbon till chlorine. The calculations are performed by using the…

The energy super-critical Gross--Pitaevskii equation with a harmonic potential is revisited in the particular case of cubic focusing nonlinearity and dimension d > 4. In order to prove the existence of a ground state (a positive, radially…

An indication of spontaneous symmetry breaking is found in the two-dimensional $\lambda\phi^4$ model, where attention is paid to the functional form of an effective action. An effective energy, which is an effective action for a static…

We report calculation of the energy spectrum and the spectroscopic properties of the superheavy element ion: Rf^+. We use the 4-component relativistic Dirac-Coulomb Hamiltonian and the multireference configuration interaction (MRCI) model…

A direct measurement of the ground-state-to-ground-state electron-capture decay $Q$ ($Q_{\rm EC}$) value of $^{97}$Tc has been conducted employing the high resolving power phase-imaging ion-cyclotron-resonance technique with the double…

The energy eigenvalues and the wave functions of an $\alpha$ particle in a Bohrium $270$ nucleus were calculated by solving Schr\"odinger equation for Generalized Symmetric Woods-Saxon potential. Using the energy spectrum by excluding and…

The Configuration Interaction (CI) method using a very large Laguerre orbital basis is applied to the calculation of the He ground state. The largest calculations included a minimum of 35 radial orbitals for each l ranging from 0 to 12…

Variational, nonrelativisitic energies have been calculated for the ground state ($^3P_g$) and the lowest quintuplet state ($^5S_u$) of the carbon atom, with wavefunctions expressed in the basis of symmetry-projected, explicitly correlated…

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…