نتایج جستجو برای: hartree
تعداد نتایج: 5668 فیلتر نتایج به سال:
The relation between the correlation energy and the entanglement is analytically constructed for the Moshinsky’s model of two coupled harmonic oscillators. It turns out that the two quantities are far to be proportional, even at very small couplings. A comparison is made also with the 2-point Ising model.
ابتدا الماس و ایجاد تهی جاها و کاربردهای آن را مورد مطالعه قرار می دهیم . سپس به بررسی روش hartree fock و مشکلات آن در حل مسئله ی الماس با تهی جا می پردازیم . روش نظریه ی تابعی چگالی dft به عنوان جایگزینی برای حل مسئله ی الماس با تهی جای خنثی را معرفی می کنیم . برای حل عددی با استفاده از روش dft و به کارگیری نرم افزار siesta انرژی حالت پایه و نمودار dos را برای الماس با تهی جای خنثی بررسی می کن...
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...
Using a new stability estimate for the difference of square roots two solutions Vlasov–Poisson equation, we obtain convergence in L 2 norm Wigner transform solution Hartree equation with Coulomb potential to rate proportional ℏ. This improves ℏ 3/4-ε obtained [L. Lafleche, C. Saffirio: Analysis & PDE, appear]. Another reason interest this paper is method, reminiscent ones used prove mean-field ...
The interaction of DPPA which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of DPPA .In this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. Thetheoretical NMR shielding tensor of some imported atoms were also reported.
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