Related papers: Application of Hellman-Feynman and Hypervirial the…
Computation of ionic forces using quantum Monte Carlo methods has long been a challenge. We introduce a simple procedure, based on known properties of physical electronic densities, to make the variance of the Hellmann-Feynman estimator…
We describe the new version 2.00d of the code HFBTHO that solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the cylindrical transformed deformed harmonic-oscillator basis. In the new…
A unified theory of orthogonal polynomials of a discrete variable is presented through the eigenvalue problem of hermitian matrices of finite or infinite dimensions. It can be considered as a matrix version of exactly solvable Schr\"odinger…
Quantum mechanical scalar particle with polarizability is considered in the presence of the Coulomb field. Separation of variables is performed with the use of Wigner $D$-functions, the radial system of 15 equations is reduced to a single…
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…
In this note we consider a one-dimensional quantum mechanical particle constrained by a parabolic well perturbed by a Gaussian potential. As the related Birman-Schwinger operator is trace class, the Fredholm determinant can be exploited in…
Using the Hellmann-Feynman theorem, a general comparison theorem is established for an eigenvalue equation of the form $(T+V)|\psi> = E|\psi>$, where $T$ is a kinetic part which depends only on momentums and $V$ is a potential which depends…
We propose a theory of eigenvalues, eigenvectors, singular values, and singular vectors for tensors based on a constrained variational approach much like the Rayleigh quotient for symmetric matrix eigenvalues. These notions are particularly…
Harmonic inversion is introduced as a powerful tool for both the analysis of quantum spectra and semiclassical periodic orbit quantization. The method allows to circumvent the uncertainty principle of the conventional Fourier transform and…
We consider fourth order singularly perturbed eigenvalue problems in one-dimension and the approximation of their solution by the $h$ version of the Finite Element Method (FEM). In particular, we use piecewise Hermite polynomials of degree…
In this paper, we derive new relative perturbation bounds for eigenvectors and eigenvalues for regular quadratic eigenvalue problems of the form $\lambda^2 M x + \lambda C x + K x = 0$, where $M$ and $K$ are nonsingular Hermitian matrices…
The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\psi}}){\psi} = E{\psi}. This new scheme is derived from a…
In this note, we study the potential algebra for several models arising out of quantum mechanics with generalized uncertainty principle. We first show that the eigenvalue equation corresponding to the momentum-space Hamiltonian…
It is shown that exact solutions may be found for the energy eigenvalue problem generated by the class of semirelativistic Hamiltonians of the form H = sqrt{m^2+p^2} + hat{V}, where hat{V} is a non-local potential with a separable kernel of…
A precise calculation of the ground-state energy of the complex PT-symmetric Hamiltonian $H=p^2+{1/4}x^2+i \lambda x^3$, is performed using high-order Rayleigh-Schr\"odinger perturbation theory. The energy spectrum of this Hamiltonian has…
We consider eigenvalue condition numbers and backward errors for a class of symmetric nonlinear eigenvalue problems with eigenvector nonlinearities. For both of these quantities, we derive explicit and computable expressions that can be…
We develop a modified semi-classical approach to the approximate solution of Schrodinger's equation for certain nonlinear quantum oscillations problems. At lowest order, the Hamilton-Jacobi equation of the conventional semi-classical…
The Hellmann-Feynman (HF) theorem provides a way to compute forces directly from the electron density, enabling efficient force calculations for large systems through machine learning (ML) models for the electron density. The main issue…
Many equations have been introduced and derived by the author indicated in the title in relation to multi-electron densities between the Hohenberg-Kohn theorems and variational principle, conversion of the non-relativistic electronic…
We propose an alternative factorization for the simple harmonic oscillator hamiltonian which includes Mielnik's isospectral factorization as a particular case. This factorization is realized in two non-mutually adjoint operators whose…