Related papers: Bohr Sommerfeld quantisation and molecular potenti…
In Born-Oppenheimer molecular dynamics (BOMD) simulations based on density functional theory (DFT), the potential energy and the interatomic forces are calculated from an electronic ground state density that is determined by an iterative…
We describe the effective Lorentz forces on the ions of a generic insulating system in an magnetic field, in the context of Born-Oppenheimer ab-initio molecular dynamics. The force on each ion includes an important contribution of…
A generalized Peierls substitution which takes into account a Berry phase term must be considered for the semiclassical treatment of electrons in a magnetic field. This substitution turns out to be an essential element for the correct…
We obtain eigenvalues and eigenfunctions of the Schr\"{o}dinger equation with a hyperbolic double-well potential. We consider exact polynomial solutions for some particular values of the potential-strength parameter and also numerical…
An exact path integral treatment of a particle in a deformed radial Rosen-Morse potential is presented. For this problem with the Dirichlet boundary conditions, the Green's function is constructed in a closed form by adding to V_{q}(r) a…
The recently introduced scheme [20,21] is extended to propose an algebraic non-perturbative approach for the analytical treatment of Schr\"odinger equations with non-solvable potentials involving an exactly solvable potential form together…
Monte Carlo simulations have been performed to determine the excess energy and the equation of state of fcc solids with Sutherland potentials for wide ranges of temperatures, densities and effective potential ranges. The same quantities…
We present perturbative energy eigenvalues (up to second order) of Coulomb- and harmonic oscillator-type fields within a perturbation scheme. We have the required unperturbed eigenvalues ($E_{n}^{(0)}$) analytically obtained by using…
For relativistic atomic two-body systems such as the hydrogen atom, positronium, and muon-proton bound states, a two-body generalisation of the single-particle Sommerfeld fine-structure formula for the relativistic bound-state energies is…
The path integral formulation can reproduce the right energy spectrum of the harmonic oscillator potential, but it cannot resolve the Coulomb potential problem. This is because the path integral cannot properly take into account the…
The polar perturbation is examined when the spacetime is expressed by a 4d metric induced from higher-dimensional Schwarzschild geometry. Since the spacetime background is not a vacuum solution of 4d Einstein equation, the various general…
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 develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
Consider the semiclassical limit, as the Planck constant $\hbar\ri 0$, of bound states of a quantum particle in a one-dimensional potential well. We justify the semiclassical asymptotics of eigenfunctions and recover the Bohr-Sommerfeld…
The modern semiclassical theory of a Bloch electron in a magnetic field encompasses the orbital magnetization and geometric phase. Beyond this semiclassical theory lies the quantum description of field-induced tunneling between…
We calculate the eigenvalues and their corresponding eigenfunctions of the Bohrs collective Hamiltonian with the help of the modified Poschl-Teller potential model within -unstable structure. Our numerical results for the ground state beta…
In this review we first discuss extension of Bohr's 1913 molecular model and show that it corresponds to the large-D limit of a dimensional scaling (D-scaling) analysis, as developed by Herschbach and coworkers. In a separate but synergetic…
In this paper we demonstrate the integrability of the Hamilton-Jacobi equation for two non-central potentials in spherical polar coordinates, and present complete solutions for the classically bound orbits. We then show that the…
Energies of (2s2 2p5 3l3l') and (2s 2p6 3l3l') states for sodiumlike ions with Z =14--100 are evaluated to second order in relativistic many-body perturbation theory starting from a neonlike Dirac-Fock potential. Second-order Coulomb and…
Heteronuclear dimers are of significant interest to experiments seeking to exploit ultracold polar molecules in a number of novel ways including precision measurement, quantum computing, and quantum simulation. We calculate highly accurate…