نتایج جستجو برای: hartree fock method

تعداد نتایج: 1636326  

1996
D. P. Menezes

The structure of in nite nuclear matter is studied with two of the Zimanyi Moszkowski (ZM) models in the framework of a relativistic approximation which takes into account Hartree terms and beyond and is compared with the results which come out of the relativistic Hartree Fock approach in the linear Walecka model. The simple treatment applied to these models can be used in substitution to the m...

2008
A. Delfino

The structure of infinite nuclear matter is studied with two of the Zimanyi Moszkowski (ZM) models in the framework of a relativistic approximation which takes into account Hartree terms and beyond and is compared with the results which come out of the relativistic Hartree Fock approach in the linear Walecka model. The simple treatment applied to these models can be used in substitution to the ...

1998
H. Huber M. K. Weigel

It is shown that the modern equations of state for neutron star matter based on microscopic calculations of symmetric and asymmetric nuclear matter are compatible with the lower bound on the maximum neutron-star mass for a certain range of hyperon coupling constants, which are constrained by the binding energies of hyperons in symmetric nuclear matter. The hyperons are included by means of the ...

Journal: :The Journal of chemical physics 2014
James Daniel Whitfield Zoltán Zimborás

The self-consistent field method utilized for solving the Hartree-Fock (HF) problem and the closely related Kohn-Sham problem is typically thought of as one of the cheapest methods available to quantum chemists. This intuition has been developed from the numerous applications of the self-consistent field method to a large variety of molecular systems. However, as characterized by its worst-case...

2008
Heinz-Jürgen Flad Reinhold Schneider

Abstract The Hartree-Fock equations are widely accepted as the basic model of electronic structure calculation which serves as a canonical starting point for more sophisticated many-particle methods. We have studied the s∗-compressibility for Galerkin discretizations of the Hartree-Fock equations in wavelet bases. Our focus is on the compression of Galerkin matrices from nuclear Coulomb potenti...

Journal: :Journal of chemical information and computer sciences 2001
Maria M. Marino

A relativistic pseudopotentional (RPP) for use in ab initio molecular electronic structure calculations is derived in the context of the relativistic effective core potential (REP) method of Lee et al. The resulting atom-specific RPP has salient features of the REP imbedded within it while retaining the form of a functional that is dynamically defined at runtime when used in calculations on mol...

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