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We have proposed a method for correcting the Kohn-Sham eigen energies in the density functional theory (DFT) based on the Koopmans theorem using Wannier functions. The method provides a general approach applicable for molecules and solids…
The hadronic vacuum polarization function $\Pi_h$ for two light flavors is computed on the entire domain of spacelike and timelike momenta using a framework of Dyson-Schwinger equations. The analytical continuation of the function $\Pi_h$…
We propose an experiential formula for the calculation of the energy eigenvalues of a particle moving in a one-dimension finite-deep square well potential after some physical considerations. This formula shows a simple relation between the…
We compute the energy levels of a 2D Hydrogen atom when a constant magnetic field is applied. With the help of a mixed-basis variational method, we calculate the energy eigenvalues of the 1S, 2P- and 3D- levels. We compare the computed…
In this article we present comparisons between the spectrum of a one-dimensional Schr\"odinger operator for a particular periodic potential and for its restriction to a finite number of sites. We deduce from this finite, but large, number…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
We present a mathematically rigorous quantum-mechanical treatment of a two-dimensional nonrelativistic quantum dual theories (with oscillator and Coulomb like potentials) on a plane and compare their spectra and the sets of eigenfunctions.…
Extending our previous work \cite{filinov-etal.jpa03ik} we present a detailed discussion of accuracy and practical applications of finite-temperature pseudopotentials for two-component Coulomb systems. Different pseudopotentials are…
Highly accurate closed-form approximations are given for the ground state and first excited state wavefunctions and energies for a nonrelativistic particle in a one-dimensional double square well potential with a square barrier in between…
The Deng-Fan-Eckart (DFE) potential is as good as the Morse potential in studying atomic interaction in diatomic molecules. By using the improved Pekeris-type approximation, to deal with the centrifugal term, we obtain the bound-state…
We study the dispersive behaviors of two-particles Schr\"odinger and wave equations in the Aharonov-Bohm field. In particular, we prove the Strichartz estimates for Schr\"odinger and wave equations in this setting. The key point is to…
We present a new dimensional scaling transformation of the Schrodinger equation for the two electron bond. This yields, for the first time, a good description of the two electron bond via D-scaling. There also emerges, in the large-D limit,…
This paper presents the exact ground state solution for a diatomic particle system with position-dependent complex mass under action of a complex Morse potential in the quantum domain. By solving the position-dependent Schr\"odinger…
We develop ion-ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm-dense-matter (WDM) regime. Furthermore, we emphasize non-equilibrium states where the ion temperature $T_i$ differs from the electron…
Quantum theory has been remarkably successful in providing an understanding of physical systems at foundational scales. Solving the Schr\"odinger equation provides full knowledge of all dynamical quantities of the physical system. However…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
By means of a suitable rational approximation to the logarithmic derivative of the wavefunction we obtain tight upper and lower bounds to the eigenvalues and critical parameters of the quartic double-well potential.
Analytical solutions to the time-dependent Shr\"{o}dinger equation in one dimension are developed for time-independent potentials, one consisting of an infinite wall and a repulsive delta function. An exact solution is obtained by means of…
A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…
Broadly speaking, the calculation of core spectra such as electron energy loss spectra (EELS) at the level of density functional theory (DFT) usually relies one of two approaches: conceptually more complex but computationally efficient…