نتایج جستجو برای: hartree fock method

تعداد نتایج: 1636326  

2016
F. Castet A. Fritsch L. Ducasse

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

2007
W. C. Mackrodt N. M. Harrison V. R. Saunders M. D. Towler

2005
Yasuhiko Tsue

A simple many-fermion system in which there exists N identical fermions in a single spherical orbit with pairing interaction is treated by means of the time-dependent variational approach with a quasi-spin squeezed state with the aim of going beyond the time-dependent Hartree-Fock or Bogoliubov theory. It is shown that the ground state energy is reproduced well analytically in this approach. 1 ...

1970
R. E. BORLAND K. DENNIS

The form of a real AT-body fermion wave function when expanded in Slater determinants of natural orbitals is investigated using a computer. I t is found that in the case when the number of natural orbitals is N f 2 there is a considerable reduction in the number of Slater determinants required. This offers the possibility of calculating atomic wave functions which are significantly more accurat...

2006
G. Auger J. E. Bastin E. Bouchez

The odd-Z isotope Lr and its daughter Md and grand-daughter Es were studied in two experiments performed at GANIL and the University of Jyväskylä. The Lr nuclei were produced using the cold fusion-evaporation reaction Bi(Ca,2n)Lr at a bombarding energy of 217 MeV. The singleparticle structure and decay properties were investigated using α, γ and electron spectroscopy. The groundstate spin and p...

2001
Nguyen Van Giai R. J. Liotta

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...

2008
B. THIES B. FRICKE

The time dependence of a heavy-ion-atom collision system is solved via a set of coupled channel equations using energy eigenvalues and matrix elements from a self-consistent field relativistic molecular many-electron Dirac-Fock-Slater calculation. Within this independent particle model we give a full many-particle interpretation by performing a small number of single-particle calculations. Firs...

2007
M. D. Jones

We have investigated the ground and excited state properties of two electron atoms using our Fixed-Phase method, including an analysis of exchange and correlation. We present results of our calculations with a trial phase which corresponds to the atomic Hartree-Fock one.

2006
Claude BARDOS François GOLSE Alex D. GOTTLIEB Norbert J. MAUSER

This article examines the time-dependent Hartree-Fock (TDHF) approximation of single-particle dynamics in systems of interacting fermions. We find the TDHF approximation to be accurate when there are sufficiently many particles and the initial manyparticle state is a Slater determinant, or any Gibbs equilibrium state for noninteracting fermions. Assuming a bounded two-particle interaction, we o...

2004
D. G. Madland

We investigate the consequences of Fierz transformations acting upon the contact interactions for nucleon fields occurring in relativistic point coupling models in Hartree approximation, which yield the same models but in Hartree-Fock approximation instead. Identical nuclear ground state observables are calculated in the two approximations, but the magnitudes of the coupling constants are diffe...

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