Fast hybrid density-functional computations using plane-wave basis sets
نویسندگان
چکیده
منابع مشابه
Density Functional Theory with a Linearized Augmented Plane Wave Basis
The forumulation of quantum mechanics in the early half of the twentith century gave the foundation for understanding the interactions between electrons and nuceli. However when an interacting system composed of many particles is considered the use of quantum mechanics is cumbersome. Very quickly the calculations are intractable by hand and even with the invention of computers these systems can...
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ژورنال
عنوان ژورنال: Electronic Structure
سال: 2019
ISSN: 2516-1075
DOI: 10.1088/2516-1075/aaf7d4