Related papers: Parameterized optimized effective potential for th…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…
The choice of molecular orbitals is decisive in configuration interaction calculations. In this letter, a democratic description of the ground and excited states follows an orthogonally constrained orbitals optimization to produce…
In a cold atom gas subject to a 2D spin-dependent optical lattice potential with hexagonal symmetry, trapped atoms undergo orbital motion around the potential minima. Such atoms are elementary quantum rotors. We develop the theory of such…
A model describing N particles on a line interacting pairwise via an elliptic function potential in the presence of an external field is partially solved in the quantum case in a totally algebraic way. As an example, the ground state and…
This work presents a new parametrisation suitable for parameter-space studies of heliocentric Earth-impacting orbits. Originally motivated by the issue of potentially hazardous asteroids (PHAs) and the mitigation of such a risk, we show…
A trial function is presented for the $H_2$ molecule which provides the most accurate (the lowest) Bohr-Oppenheimer ground state energy among few-parametric trial functions (with $\leq 14$ parameters). It includes the electronic correlation…
The exact-exchange (EXX) potential, which is obtained by solving the optimized-effective potential (OEP) equation, is compared to various approximate semilocal exchange potentials for a set of selected solids (C, Si, BN, MgO, Cu$_{2}$O, and…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
The four-site Hubbard model is considered from the exact diagonalisation and variational method points of view. It is shown that the exact ground-state can be recovered by a symmetry projected Slater determinant, irrespective of the…
Four new exactly solvable, real and shape-invariant potentials associated with a position-dependent effective mass are generated within the concept of shape-invariant potentials using a specific ansatz for superpotential. The accompanying…
A Hubbard-like model with SU(4) symmetry for electrons with two-fold orbital degeneracy is studied extensively. Exact solution in one dimension is derived by means of Bethe ansatz, where the sites are supposed to be occupied by at most two…
We investigate the suitability of natural orbitals as a basis for describing many-body excitations. We analyze to which extend the natural orbitals describe both bound as well as ionized excited states and show that depending on the…
Proposed is system of consistent mathematical models describing physical laws of a system of energy emitting bodies in dynamics, relativity and nuclear physics. It is shown the use of developed models for the description of systems,…
The use of electrostatic ion beam traps require to set many potentials on the electrodes (ten in our case), making the tuning much more difficult than with quadrupole traps. In order to obtain the best trapping conditions, an analytical…
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…
Parametric energy-level correlation describes the response of the energy-level statistics to an external parameter such as the magnetic field. Using semiclassical periodic-orbit theory for a chaotic system, we evaluate the parametric…
We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…
Matrix elements of potential energy are examined in detail. We consider a model problem - a particle in a central potential. The most popular forms of central potential are taken up, namely, square-well potential, Gaussian, Yukawa and…
We treat the local exchange parameter, alpha, of the Slater's Xalpha method as a fitting parameter and determine its value by constraining some physical quantity obtained from the self-consistent solution of the Xalpha method to be equal to…