نتایج جستجو برای: Exchange-Correlation
تعداد نتایج: 573589 فیلتر نتایج به سال:
nowadays in trade and economic issues, prediction is proposed as the most important branch of science. existence of effective variables, caused various sectors of the economic and business executives to prefer having mechanisms which can be used in their decisions. in recent years, several advances have led to various challenges in the science of forecasting. economical managers in various fi...
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...
today, the route for economic development in most countries is the same as international open competitive economy. economic institutes well known that supportive public economy belonged on the past and they may compete in the global economy. it is obvious that if they have no competitive potency or not familiar with competition technique, they may be devastated. banking system aims to collect t...
determination of uranium in natural water and complex solutions using ion exchange chromatography: a combined procedure using ion exchange chromatography and uv-vis spectrophotometry techniques has been developed to measure uranum in natural water and complex solutions. after conditicing , one hundred milli liters of sample solutions have been passed through an ion exchange column,pachked with ...
این پایان نامه به تشریح روش kkr و rel.kkr می پردازد. روش kkr که به نام ابداع کنندگان آن "korringa-kohn-rostoker" نام گذاری شده است یکی از روشهای تعیین ساخترا نوار انرژی الکترونی برای بلورها و مولکولها می باشد که اساس کار آن بر روش پتانسیل مافین-تین "muffin-tin" قرار دارد و به حل معادله شرودینگر و به دست آوردن توابع موج این پتانسیل جهت به دست آوردن معادله مشخصه و تعیین ویژه مقادیر انرژی برحسب بر...
We have examined the predictions of many of the generalised gradient approximation, and hybrid functionals, which are presently in the literature. Specifically we have looked at energetics and structures for two molecular sets, one with 93 systems and one with 147 systems. We find that recently developed functionals with more adjustable parameters give improved predictions when compared with le...
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