Книги Audrius Alkauskas

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Обложка «Advanced Calculations for Defects in Materials. Electronic Structure Methods»

Advanced Calculations for Defects in Materials. Electronic Structure Methods
Audrius Alkauskas

This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic [...]

Тип: PDF-книга
Жанр: научно-популярная литература
Добавлена: 24.02.2019