نتایج جستجو برای: hartree fock method
تعداد نتایج: 1636326 فیلتر نتایج به سال:
The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is method choice to study weakly bound nuclei whose properties are affected by quasiparticle continuum space. To describe such systems, we developed a three-dimensional Skyrme-Hartree-Fock-Bogoliubov solver HFBFFT based on existing, highly optimized and parallelized Skyrme-Hartree-Fock code Sky3D. does not impose any self...
Starting from explicitly correlated wavefunctions, the one-body momentum density, γ ( E p), and the expectation values 〈δ( E p)〉 and 〈pn〉, with n = −2 to +3, have been obtained for the atoms helium to neon. All the calculations have been carried out by using the Monte Carlo algorithm. An analysis of the numerical accuracy of the method has been performed within the Hartree– Fock framework. The ...
The general Hartree-Fock (GHF) method is a quantum mechanical method for electronic structure calculations that uses a single determinantal wave function with no restrictions on the one-electron orbitals other than orthonormality and the use of a specific basis set. The more familiar restricted Hartree-Fock (RHF) and unrestricted Hartree-Fock (UHF) methods can be regarded as special cases of th...
We present solutions of the coupled, non-relativistic S1D1 gap equations for neutron-proton pairing in symmetric nuclear matter, and estimate relativistic effects by solving the same gap equations modified according to minimal relativity and using single-particle energies from a DiracBrueckner-Hartree-Fock calculation. As a main result we find that relativistic effects decrease the value of the...
We formulate charge transfer model for a single doped spin ladder, relevant for the intrinsically doped plane of coupled spin ladders in Sr3Ca11Cu24O41. Assuming the presence of the experimentally observed charge order in the system we solve the model using Hartree-Fock approximation. Our results show the profound stability of the Zhang-Rice singlets with respect to other configurations of dope...
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...
Using Thomas-Fermi-Dirac equation within the exchange-correlation scheme and a Z-dependent trial solution, the ground state binding energy for neutral, positively, and negatively charged atoms are calculated. Comparing to the results obtained in earlier works, the values of the binding energy estimated here for both light and heavy atoms agree nicely with the Hartree-Fock values. We have also c...
This report concerns the energy of neutron-matter for densities below 0.15fm and temperatures at and below 10MeV . Separable NN-interactions are obtained by inverse scattering from the experimental phase-shifts with specified momentum cut-offs Λ. Results of Brueckner-Bloch-DeDomicis as well as finite temperature Green’s function calculations show independence of cut-off for Λ ≥ 3. Agreement wit...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید