相关论文: Transferable relativistic Dirac-Slater pseudopoten…
An analytical approximation for the eigenvalues of $\mathcal{PT}$ symmetric Hamiltonian $\mathsf{H} = -d^{2}/dx^{2} - (\mathrm{i}x)^{\epsilon+2}$, $\epsilon > -1$ is developed via simple basis sets of harmonic-oscillator wave functions with…
An effective approach for solving the three-dimensional Dirac equation for spherically symmetric local interactions, which we have introduced recently, is reviewed and consolidated. The merit of the approach is in producing Schrodinger-like…
This paper addresses the problem of computing the eigenvalues lying in the gaps of the essential spectrum of a periodic Schrodinger operator perturbed by a fast decreasing potential. We use a recently developed technique, the so called…
We benchmark ionisation and excitation energies of transition-metal atoms Sc-Zn with a transcorrelated Hamiltonian combined with pseudopotentials. The similarity transformed Hamiltonian provides compact TC wave functions in affordable…
We study the numerical solution of the non-relativistic Schr\"{o}dinger equation for two-electron atoms in ground and excited S-states using pseudospectral (PS) methods of calculation. The calculation achieves convergence rates for the…
In this paper we study the (2 + 1)-dimensional Dirac oscillator in the noncommutative phase space and the energy eigenvalues and the corresponding wave functions of the system are obtained through the sl(2) algebraization. It is shown that…
We have implemented recently developed multiple-projector pseudopotentials into the planewave based auxiliary-field quantum Monte Carlo (pw-AFQMC) method. Multiple-projector pseudopotentials can yield smaller planewave cut-offs while…
The most general Dirac Hamiltonians in $(1+1)$ dimensions are revisited under the requirement to exhibit a supersymmetric structure. It is found that supersymmetry allows either for a scalar or a pseudo-scalar potential. Their spectral…
The Complex Absorbing Potential (CAP) method is widely used to compute resonances in Quantum Chemistry, both for nonrelativistic and relativistic Hamiltonians. In the semiclassical limit $\hbar \to 0$ we consider resonances near the real…
By adding a non-linear core correction to the well established Dual Space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew Burke Ernzerhof (PBE)…
A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The Dirac Hamiltonian contains a scalar $S$ and a vector $V$ quadratic potentials in the radial coordinate, as well as a tensor potential $U$ linear in $r$.…
Exact solutions are found to the Dirac equation for a combination of Lorentz scalar and vector Coulombic potentials with additional non-Coulombic parts. An appropriate linear combination of Lorentz scalar and vector non-Coulombic…
In supersymmetric quantum mechanics, shape invariance is a sufficient condition for solvability. We show that all conventional additive shape invariant superpotentials that are independent of $\hbar$ obey two partial differential equations.…
A systematic procedure to derive exact solutions of the associated Lame equation for an arbitrary value of the energy is presented. Supersymmetric transformations in which the seed solutions have factorization energies inside the gaps are…
We employ the superpotential technique for the reconstruction of cosmological models with a non-minimally coupled scalar field evolving on a spatially flat Friedmann-Robertson-Walker background. The key point in this method is that the…
The eigenfunctions and eigenenergies for a Dirac Hamiltonian with equal scalar and vector harmonic oscillator potentials are derived. Equal scalar and vector potentials may be applicable to the spectrum of an antinucleion imbedded in a…
A shifted - l expansion technique is introduced to calculate the energy eigenvalues for Klein-Gordon (KG) equation with Lorentz vector and/or Lorentz scalar potentials. Although it applies to any spherically symmetric potential, those that…
We calculate transverse response functions for quasi-elastic electron scattering at high momentum transfers in a relativistic Hartree approximation in configuration space. We treat the excitation of the $\Delta$ resonance using its free…
The energy eigenvalues of a Dirac particle for the hyperbolic-type potential field have been computed approximately. It is obtained a transcendental function of energy, $\mathcal{F}(E)$, by writing in terms of confluent Heun functions. The…
We present an exact quantization condition for the time independent solutions (energy eigenstates) of the one-dimensional Dirac equation with a scalar potential well that gives only two `effective' turning points (defined by the roots of…