نتایج جستجو برای: electron correlation

تعداد نتایج: 687495  

پایان نامه :وزارت علوم، تحقیقات و فناوری - پژوهشگاه دانشهای بنیادی (مرکز تحقیقات فیزیک نظری و 1387

we show that when both sources ( lepton flavor violation sources and cp-violating phases) are present, the electric dipole moment of the electron, $d_e$, receives a contribution from the phase of the trilinear $a$-term of staus, $phi_{a_ au}$. for $phi_{a_ au}=pi/2$, the value of $d_e$, depending on the ratios of the lfv mass elements, can range between zero and three orders of magnitude a...

Abediravan, B, Bagherpour, F,

In this study, the electronic structure of armchair silicene nanoribbons (ASiNRs) is investigated for various widths using first-principle calculations and the framework of the density functional theory. Electronic structure of ASiNRs shows a direct band gap which is decreased  with increasing the nanoribbon's width, showing an oscillatory behavior. The effective Coulomb interaction between loca...

2001
Peter Pulay

Traditional configuration-based theories of dynamic electron correlation, such as variational configuration interaction(CI), Møller-Plesset perturbation theory(MPn), and coupled-cluster (CC) theory, exhibit steep scaling with both the number of basis functions and the number of electrons. Their overall formal scaling at constant basis set quality varies between O(N 5) and O(N 7) or higher, wher...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2000

Journal: :International Journal of Quantum Chemistry 1980

Journal: :Physical Review Letters 2017

Journal: :The Journal of Physical Chemistry 1996

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