نتایج جستجو برای: fock method rhf

تعداد نتایج: 1635690  

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...

Journal: :The Journal of chemical physics 2009
Jia Deng Andrew T B Gilbert Peter M W Gill

We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.

2013
Laurence Claes Walter Vandereycken An Vandeputte Caroline Braet

In the pre-bariatric psychological assessment of 102 morbidly obese females, two personality subtypes emerged: a Resilient/High Functioning (RHF) subtype with a ‘normal’ personality profile, and an Emotional Dysregulated/Undercontrolled (EDU) subtype, characterized by high neuroticism and low extraversion/conscientiousness. EDU patients showed more concerns about eating/weight/shape, more binge...

Journal: :The Journal of chemical physics 2013
Matthew S Kelley Toru Shiozaki

We present an efficient theory and algorithm for computing four-component relativistic Dirac-Fock wave functions using the Coulomb, Gaunt, and full Breit interactions. Our implementation is based on density fitting, and is routinely applicable to systems with 100 atoms and a few heavy elements. The small components are expanded using 2-spinor basis functions. We show that the factorization of 3...

2005
Tomoyuki Maruyama Satoshi Chiba

We define the new description of the electromagnetic current to hold the current conservation in the momentum-dependent Dirac fields from the Ward Takahashi identity. To describe the momentum-dependence we solve the relativistic Hartree-Fock approximation by using the one-pion exchange. In addition we discuss on contribution from the one-pion exchange current and the core polarization. It is sh...

1998
Hideki Madokoro Masayuki Matsuzaki

Following the experimental discovery of the superdeformed(SD) band in Zn, we calculate several low-lying SD bands in neutron-deficient 30Zn isotopes using Relativistic Mean Field model. For comparison, we also perform nonrelativistic Skyrme-Hartree-Fock calculation of the SD bands in Zn. Both models give somewhat smaller moments of inertia than the observed ones, but we can see some qualitative...

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