نتایج جستجو برای: crystalline materials

تعداد نتایج: 469111  

Journal: :The journal of physical chemistry. A 2006
A Ormeci H Rosner F R Wagner M Kohout Yu Grin

The electron localization function (ELF) is implemented in the first-principles, all-electron, full-potential local orbital method. This full-potential implementation increases the accuracy with which the ELF can be computed for crystalline materials. Some representative results obtained are presented and compared with the results of other methods. Although for crystal structures with directed ...

Journal: :Modelling and Simulation in Materials Science and Engineering 2012

Journal: :Acta Crystallographica Section A Foundations and Advances 2014

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1996

Journal: :Physica E: Low-dimensional Systems and Nanostructures 2002

Journal: :IOP Conference Series: Earth and Environmental Science 2021

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