نتایج جستجو برای: density matrix

تعداد نتایج: 753731  

2011
Evert Jan Baerends O. V. Gritsenko K. J. H. Giesbertz Paul Ayers

Coupled cluster methods are considered among the most accurate tools in electronic structure theory. Nonetheless relatively limited attempt seems to have been made to extend their applicability to the description of the core-excitation phenomena that are behind largely used spectroscopic techniques like x-ray absorption spectroscopy and x-ray circular dichroism. As a first step to redeem for su...

عبدالحسین رضوانی, , محمدعلی طالبیان درزی, ,

  We inspected the exact solution of double barrier quantum well. The choice of proper boundary conditions has been taken into account. We eveluated the mechanism of resonant in this device. The density correlation matrix was calculated by using the exact solution of the time-dependent generalized nonlinear Schrodinger equation in the presence of electron-electron interaction. The result shows ...

پایان نامه :دانشگاه تربیت معلم - تهران - دانشکده علوم 1393

in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

In this research study, the effects of aluminum nitride (AlN) additive on the densification behavior and microstructure development of titanium diboride (TiB2) based ceramic matrix composite were investigated. In this way, a monolithic TiB2 ceramic and a TiB2–5 wt% AlN ultrahigh temperature ceramic composite were fabricated by spark plasma sintering (SPS) proces...

2008
Takashi Mori Seiji Miyashita

We study the structure of the time evolution of the density matrix in contact with a thermal bath in a standard projection operator scheme. In general, the equation of motions of the density matrix with dissipative effects tends to lead any initial state into a steady state. The reduced density matrix of the system in the steady state is obtained by tracing out the degree of freedom of the ther...

Journal: :Progress of Theoretical Physics 1952

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