Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange
نویسندگان
چکیده
منابع مشابه
Accurate and efficient approximation to the optimized effective potential for exchange.
We devise an efficient practical method for computing the Kohn-Sham exchange-correlation potential corresponding to a Hartree-Fock electron density. This potential is almost indistinguishable from the exact-exchange optimized effective potential (OEP) and, when used as an approximation to the OEP, is vastly better than all existing models. Using our method one can obtain unambiguous, nearly exa...
متن کاملSeparation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach.
Most approximate exchange-correlation functionals used within density-functional theory are constructed as the sum of two distinct contributions for exchange and correlation. Separating the exchange component from the entire functional is useful since, for exchange, exact relations exist under uniform density scaling and spin scaling. In the past, accurate exchange-correlation potentials have b...
متن کاملOptimized Method for Reticulocyte Counting: Simple, Accurate, and Comparable to Flow Cytometry
Background: Reticulocytes are immature red blood cells with RNA, spending the final stages of their maturation in the peripheral blood. The number of reticulocytes in the peripheral blood is the salient evidence of the effectiveness of bone marrow to produce red blood cells. Currently, reticulocyte count is done manually or automatically in clinical laboratories. Difficulties and limitations of...
متن کاملExchange-Only Optimized Effective Potential Calculation of Excited State Spectra for He and Be Atoms
Approved for public release; further dissemination unlimited. States Government. Neither the United States Government, nor any agency thereof, nor any of their employees, nor any of their contractors, subcontractors, or their employees, make any warranty, express or implied, or assume any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparat...
متن کاملtight frame approximation for multi-frames and super-frames
در این پایان نامه یک مولد برای چند قاب یا ابر قاب تولید شده تحت عمل نمایش یکانی تصویر برای گروه های شمارش پذیر گسسته بررسی خواهد شد. مثال هایی از این قاب ها چند قاب های گابور، ابرقاب های گابور و قاب هایی برای زیرفضاهای انتقال پایاست. نشان می دهیم که مولد چند قاب تنک نرمال شده (ابرقاب) یکتا وجود دارد به طوری که مینیمم فاصله را از ان دارد. همچنین مسایل مشابه برای قاب های دوگان مطرح شده و برخی ...
15 صفحه اولذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2013
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.111.013001