Hartree Fock Calculations in the Density Matrix Expansion Approach
نویسندگان
چکیده
The density matrix expansion is used to derive a local energy density functional for finite range interactions with a realistic meson exchange structure. Exchange contributions are treated in a local momentum approximation. A generalized Slater approximation is used for the density matrix where an effective local Fermi momentum is chosen such that the next to leading order off-diagonal term is canceled. Hartree–Fock equations are derived incorporating the momentum structure of the underlying finite range interaction. For applications a density dependent effective interaction is determined from a G-matrix which is renormalized such that the saturation properties of symmetric nuclear matter are reproduced. Intending applications to systems far off stability special attention is paid to the low density regime and asymmetric nuclear matter. Results are compared to predictions obtained from Skyrme interactions. The ground state properties of stable nuclei are well reproduced without further adjustments of parameters. The potential of the approach is further exemplified in calculations for A=100. . .140 tin isotopes. Rather extended neutron skins are found beyond Sn corresponding to solid layers of neutron matter surrounding a core of normal composition.
منابع مشابه
NMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound
Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...
متن کاملNMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound
Calix[8]arenes of conformational rigid were isolated. The NMR parameters of the structure of calix[8]arenes have been compared. The study of organic structures to form nanoporous materials is well-known in chemistry phenomena to find the crystal form of calix[8]arene as supramolecule. Investigated and compared hydrogen bonding, oxygen and nitrogen atoms effect on calix[8]arene and its complexes...
متن کاملLow - Momentum Nucleon - Nucleon Potential and Hartree - Fock Calculations
A low-momentum nucleon-nucleon (N N) potential V low−k is derived from modern realistic N N potentials by integrating out the high-momentum modes. The smooth V low−k may be used as input for nuclear structure calculations instead of the usual Brueckner G matrix. Such an approach eliminates the energy dependence one finds in the G-matrix approach, allowing this interaction to be used directly in...
متن کاملInfluence of Dielectric Constant on Codon-Anticodon pairing in mRNA and tRNA triplets by Theoretical Studies: Hartree-Fock and Density Functional Theory Calculations.
In this paper we have focused on the dielectric constant effect between various solvents with theoretical modelin the biochemical process. Thereby, AAA, UUU, AAG and UUC triplex sequences have been optimized inwater, methanol, ethanol and DMSO with proposed SCRF Model of theory. The solvation of biomolecules isimportant in molecular biology since numerous processes involve to interacting a prot...
متن کاملInexact restoration method for minimization problems arising in electronic structure calculations
An inexact restoration (IR) approach is presented to solve a matricial optimization problem arising in electronic structure calculations. The solution of the problem is the closed-shell density matrix and the constraints are represented by a Grassmann manifold. One of the mathematical and computational challenges in this area is to develop methods for solving the problem not using eigenvalue ca...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 1997