3 research outputs found
Fermions and bosons in a double-well potential
The boson-fermion model, describing a mixture of fermions and bosons is analyzed on a small, two-site
lattice. The model includes all the on-site Coulomb-type interactions between bosons, between fermions and
between fermions and bosons. Additionally, the Hamiltonian includes a term that describes a conversion of a
pair of opposite-spin fermions into a boson and vice versa. We show how this conversion depends on the model
parameters
and molecules with an ab initio optimization of wave functions in correlated state: Electron-proton couplings and intermolecular microscopic parameters
The hydrogen molecules and are analyzed with electronic
correlations taken into account between the electrons exactly. The optimal
single-particle Slater orbitals are evaluated in the correlated state of
by combining their variational determination with the diagonalization of the
full Hamiltonian in the second-quantization language. All electron--ion
coupling constants are determined explicitly and their relative importance is
discussed. Sizable zero-point motion amplitude and the corresponding energy are
then evaluated by taking into account the anharmonic contributions up to the
ninth order in the relative displacement of the ions from their static
equilibrium value. The applicability of the model to the solid molecular
hydrogen is briefly analyzed by calculating intermolecular microscopic
parameters for rectangular configurations.Comment: 14 pages, 14 figures, 6 table