Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (IV) hfodd (v2.07f): a new version of the program. Abstract We describe the new version (v2.07f) of the code hfodd which solves the nuclear Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, all sy...

in this paper, the hartree-fock method has been formulated to investigate some of the ground state properties of quasi-one-dimensional interacting electron gas in the presence of the magnetic field. the bare coulomb interaction between electrons has been assumed. for this system, we have also computed some of its thermodynamic and magnetic properties such as the energy, pressure, incompressibil...

The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction approach. It consists in diagonalizing the Hamiltonian in a reduced Hilbert space built of the low-energy states of the corresponding disordered Hartree-Fock Hamil...

We present a group theoretical study of the symmetry-broken unrestricted Hartree-Fock orbitals and electron densities in the case of a two-dimensional N-electron single quantum dot ~with and without an external magnetic field!. The breaking of rotational symmetry results in canonical orbitals that ~1! are associated with the eigenvectors of a Hückel Hamiltonian having sites at the positions det...

The h-scaled Hiickel method is used to calculate the electronic energy surfaces of the four boranes B,Hz(12 =8-l 1) and the carborane C,BsH:, . These electronic energy surfaces and their minimum energy geometries are directly compared to both the single crystal x-ray determined structures and to Hartree-Fock optimized geometries. Bond distances differ on the average by 0.04 A between alternate ...

The influence of overlap interactions between the bridging ligands and the metal d orbitals on the super-exchange coupling constant are studied by means of ab-initio restricted Hartree-Fock molecular orbital calculations. The interaction between the magnetic d orbitals and the HOMOs of the carboxylate oxygen atoms are investigated in homologous asymmetrically dibridged dicopper(II) complexes wh...

Schr\"odinger equation is a nonrelativistic wave equation, which does not have Lorentz invariance. Therefore, this has large theoretical error in the precise calculation of hydrogen-like system. So commonly used method Dirac-Hartree-Fock approximation atomic However, we found new eigen whose eigenvalue system approximates quantum electrodynamics. Hence, propose scheme for hyperfine structure ba...