Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT

An overview is given of our recent work on the linear response function (LRF) χrr' and its congener, the softness kernel srr', the second functional derivatives of the energy E and the grand potential Ω with respect to the external potential at constant N and μ, respectively. In a first se...

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Библиографические подробности
Главный автор:	Stuyver, Thijs (auth)
Другие авторы:	De Proft, Frank (auth), Fias, Stijn (auth), Ayers, Paul (auth), Geerlings, P. (auth)
Формат:	Электронный ресурс Глава книги
Язык:	английский
Опубликовано:	InTechOpen 2019
Предметы:	Chemistry conceptual DFT, linear response function, nearsightedness of electronic matter, alchemical derivatives, molecular conductivity
Online-ссылка:	OAPEN Library: download the publication OAPEN Library: description of the publication
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!

Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT по Stuyver, Thijs

Опубликовано 2019

DOAB: download the publication
DOAB: description of the publication

Электронный ресурс Глава книги

Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT

Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT по Stuyver, Thijs

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