Related papers: A finite-temperature Hartree-Fock code for shell-m…
The systematic data set on isotopic effects in spectator fragmentation collected recently at the GSI laboratory permits the investigation of the N/Z dependence of the nuclear caloric curve which is of interest in several respects. In…
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
Recently, the zero-pairing limit of Hartree-Fock-Bogoliubov (HFB) mean-field theory was studied in detail in arXiv:2006.02871. It was shown that such a limit is always well-defined for any particle number A, but the resulting many-body…
We describe the new version (v2.73y) 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, we have implemented…
Ground state energies and decay widths of particle unstable nuclei are calculated within the Hartree-Fock approximation by performing a complex scaling of the many-body Hamiltonian. Through this transformation, the wave functions of the…
The finite temperature one-loop effective potential for a scalar field defined on an ultrastatic spacetime, whose spatial part is a compact hyperbolic manifold, is studied. Different analytic expressions, especially valuable at low and high…
We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have…
Over the past few years one of us (Murthy) in collaboration with R. Shankar has developed an extended Hamiltonian formalism capable of describing the ground state and low energy excitations in the fractional quantum Hall regime. The…
A Hamiltonian dynamics is defined for the XY model by adding a kinetic energy term. Thermodynamical properties (total energy, magnetization, vorticity) derived from microcanonical simulations of this model are found to be in agreement with…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
We present a density matrix approach for computing global solutions of Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the upper- and…
Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…
We study the temperature dependence of the single particle spectral function as well as of the dynamical spin and charge structure factors for the one-dimensional Hubbard model using the finite temperature auxiliary field quantum Monte…
A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…
It is shown that, in the self-consistent quantum statistical Hartree-Fock approximation, the number of electronic states localized on one nucleus is finite. This result is obtained on the basis of the general electron-nuclear model of…
A new version of a Hartree-Fock program is presented that includes extensions for partially filled f-subshells. The program allows the calculation of term dependent Hartree-Fock orbitals and energies in LS coupling for configurations with…
A Hartree approximation is used to study the interplay of two kinds of scaling which arise in high-temperature superconductors, namely critical-point scaling and that due to the confinement of electron pairs to their lowest Landau level in…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
The localized Hartree-Fock potential has proven to be a computationally efficient alternative to the optimized effective potential, preserving the numerical accuracy of the latter and respecting the exact properties of being…
Exact expressions for the partition functions of the rigid string and membrane at any temperature are obtained in terms of hypergeometric functions. By using zeta function regularization methods, the results are analytically continued and…