We present the theory of analytical Hartree-Fock gradients for periodic systems as implemented in the code CRYSTAL. We demonstrate how derivatives of the integrals can be computed with the McMurchie-Davidson algorithm. Highly accurate gradients with respect to nuclear coordinates are obtained for systems periodic in 0,1,2 or 3 dimensions.

Bulk and single-particle properties of hot hyperonic matter are studied within the Brueckner-Hartree-Fock approximation extended to finite temperature. The bare interaction in the nucleon sector is the Argonne V18 potential supplemented with an effective three-body force to reproduce the saturating properties of nuclear matter. The modern Nijmegen NSC97e potential is employed for the hyperon-nu...

Beating of monopole modes in nuclear dynamics. Abstract Time-dependent Hartree-Fock simulations of the evolution of excited gold fragments have been performed. The observed dynamics appears more complex than the collective expansion picture. The minimum density is often not reached during the first density oscillation because of the beating of several collective compression modes.

Fission-related phenomena of heavy Λ hypernuclei are discussed with the constraint Skyrme-Hartree-Fock+BCS (SHF+BCS) method, in which a similar Skyrme-type interaction is employed also for the interaction between a Λ particle and a nucleon. Assuming that the Λ particle adiabatically follows the fission motion, we discuss the fission barrier height of 239 ΛU. We find that the fission barrier hei...

2014 A model interaction is used which is determined by a given nuclear matter saturation curve. This interaction is used in a Hartree-Fock calculation of 40Ca to study the density, the single particle energies and the shell-model potential for various compressibility coefficients derived from the nuclear matter saturation curves. LE JOURNAL DE PHYSIQUE TOME 32, OCTOBRE 1971, Classification Phy...

Many-body techniques for the calculation of quasielastic nuclear matter response functions in the fully antisymmetrized random phase approximation on a Hartree-Fock basis are discussed in detail. The methods presented here allow for an accurate evaluation of the response functions with little numerical effort. Formulae are given for a generic non-relativistic potential parameter-ized in terms o...

We derive an exact single-body decomposition of the time-dependent Schrödinger equation for N pairwise-interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method we calculate the low energy spectrum of Helium. An extension of the method to bosons is outlined. Pacs 03.65.-w, 02.50.-r, 02.70.-c

The Hartree-Fock-Bogoliubov (HFB) equations in coordinate representation are solved exactly, i.e., with correct asymptotic boundary conditions for the continuous spectrum. The calculations are performed with effective Skyrme interactions. The exact HFB solutions are compared with HFB calculations based on box boundary conditions and with resonant continuum Hartree-Fock-BCS (HF-BCS) results. The...

A description is presented of how to use the Sky3D time-dependent Hartree-Fock code to calculate giant monopole resonances. This requires modification to the code, and a step-by-step guide of how to make the necessary modification is given. An example of how to analyse the output of the code to obtain quantities of physics interest is included. Together, the modifications and the post-processin...

A mixed Valence-Bond/Hartree-Fock method applied to all valence electrons calculations on finite size clusters was derived in order to size up the relative magnitude of the coulombic interactions between conduction electrons in organic conductors. An effective