نتایج جستجو برای: electron exchange correlation

تعداد نتایج: 863307  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1390

in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...

We have studied the electron exchange-correlation effect on thecharacteristics of the two-component unmagnetized dense quantum plasma withstreaming motion. For this purpose, we have used the quantum hydrodynamic model(including the effects of a quantum statistical Fermi electron temperature) for studyingthe propagation of an electrostatic electron plasma waves in such th...

Journal: :journal of nanostructures 2013
s. a. hashemizadeh v. rafee

in this paper, for the first time we have studied theoretically the effect of exchange-correlation holes around electrons in gaalas/gaas/gaalas nanostructure on the temperature-dependent dynamic dielectric function of two-dimensional electron gas by employing random phase, stls and hubbard approximations. also, we have investigated another interesting system which is coupled quantum wells struc...

S. A. Hashemizadeh, V. Rafee

In this paper, for the first time we have studied theoretically the effect of exchange-correlation holes around electrons in GaAlAs/GaAs/GaAlAs nanostructure on the temperature-dependent dynamic dielectric function of two-dimensional electron gas by employing random phase, STLS and Hubbard approximations. Also, we have investigated another interesting system which is coupled quantum wells struc...

Journal: :journal of sciences, islamic republic of iran 2013
t. vazifehshenas s. saberi-pouya

we calculate the stopping power for heavy-ion diclusters moving in a strongly coupled two-dimensional electron gas system by using the local field corrected dielectric function at finite temperature. we obtain a parameterized local field correction factor based on a relation between the thermal compressibility and exchange-correlation energy in two-dimension. the interpolated parameter is deriv...

Journal: :Physical review letters 2010
F O Schumann C Winkler J Kirschner F Giebels H Gollisch R Feder

By means of spin-polarized electron coincidence spectroscopy we explore the fundamental issue of spin-resolved contributions to the exchange-correlation hole in many-electron systems. We present a joint experimental and theoretical study of correlated electron pair emission from a ferromagnetic Fe(001) surface induced by spin-polarized low-energy electrons. We demonstrate that the contribution ...

2005
JULIEN TOULOUSE

We study nonlinear adiabatic connection paths in density-functional theory using modified electron–electron interactions that perform a long-range/short-range separation of the Coulomb interaction. These adiabatic connections allow us to define short-range exchange–correlation potentials and short-range local exchange–correlation energies per particle which we have calculated accurately for the...

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