Related papers: Complex absorbing potential method for Stark reson…
We consider the phenomenon of eigenvalue absorption for a many body Hamiltonian, which depends on a parameter. The conditions on pair potentials, which guarantee that the eigenvalues approaching the bottom of the continuous spectrum become…
The complex absorbing potential (CAP) formalism has been successfully employed in various wavefunction-based methods to study electronic resonance states. In contrast, Green's function-based methods are widely used to compute ionization…
Complex absorbing potentials (CAPs) are artificial potentials added to electronic Hamiltonians to make the wave function of metastable electronic states square-integrable. This makes electronic-structure theory of resonances comparable to…
The eigenvalue absorption for a many-particle Hamiltonian depending on a parameter is analyzed in the framework of non--relativistic quantum mechanics. The long--range part of pair potentials is assumed to be pure Coulomb and no restriction…
The adaptive perturbation method decomposes a Hamiltonian by the diagonal elements and non-diagonal elements of the Fock state. The diagonal elements of the Fock state are solvable but can contain the information about coupling constants.…
Spectral singularities are spectral points that spoil the completeness of the eigenfunctions of certain non-Hermitian Hamiltonian operators. We identify spectral singularities of complex scattering potentials with the real energies at which…
For the magnetic Hamiltonian with singular vector potentials, we analytically continue the resolvent to a logarithmic neighborhood of the positive real axis and prove resolvent estimates there. As applications, we obtain asymptotic…
The Stark resonance parameters for the $3a_{1}$ molecular orbital of H$_{2}$O are computed by solving a system of partial differential equations in spherical polar coordinates. The starting point of the calculation is the quantum potential…
An exterior complex scaling technique is applied to compute Stark resonance parameters for two molecular orbitals ($1b_{1}$ and $1b_{2}$) represented in the field-free limit in a single-center expansion. For electric DC field configurations…
We study the weighted averages of resonance clusters for the hydrogen atom with a Stark electric field in the weak field limit. We prove a semiclassical Szego-type theorem for resonance clusters showing that the limiting distribution of the…
We extend a previously developed model for the Stark resonances of the water molecule. The method employs a partial-wave expansion of the single-particle orbitals using spherical harmonics. To find the resonance positions and decay rates,…
Sampling the stationary points of a complicated potential energy landscape is a challenging problem. Here we introduce a sampling method based on relaxation from stationary points of the highest index of the Hessian matrix. We illustrate…
We present a theory of resonances for a class of non-autonomous Hamiltonians to treat the structural instability of spatially localized and time-periodic solutions associated with an unperturbed autonomous Hamiltonian. The mechanism of…
A partial-wave method is developed to deal with small molecules dominated by a central atom as an extension of earlier single-center methods. In particular, a model potential for the water molecule is expanded over a basis of spherical…
A simple 1-D relativistic model for a diatomic molecule with a double point interaction potential is solved exactly in a constant electric field. The Weyl-Titchmarsh-Kodaira method is used to evaluate the spectral density function, allowing…
The study of self-gravitating stellar systems has provided important hints to develop tools of analytical mechanics. In the present contribution we review how to exploit detuned resonant normal forms to extract information on several…
Adapting Mourre's commutator method to the dissipative setting, we prove a limiting absorption principle for a class of abstract dissipative operators. A consequence is the resolvent estimates for the high frequency Helmholtz equation when…
We study the nonrelativistic quantum Coulomb hamiltonian (i.e., inverse of distance potential) in $R^n$, n = 1, 2, 3. We characterize their self-adjoint extensions and, in the unidimensional case, present a discussion of controversies in…
An approximation-free, numerically efficient algorithm is presented for the Hamiltonian eigen-states of the Stark-Hydrogen problem describing a quantum particle exposed to the central Coulomb force and a homogeneous external field. As an…
We define Sturmian basis functions for the harmonic oscillator and investigate whether recent insights into Sturmians for Coulomb-like potentials can be extended to this important potential. We also treat many body problems such as coupling…