The SIESTA method; developments and applicability.
نویسندگان
چکیده
Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.
منابع مشابه
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ورودعنوان ژورنال:
- Journal of physics. Condensed matter : an Institute of Physics journal
دوره 20 6 شماره
صفحات -
تاریخ انتشار 2008