On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation

Summary In this paper, details of an implementation of a numerical code for computing the Kohn–Sham equations are presented and discussed. A fully self‐consistent method of solving the quantum many‐body problem within the context of density functional theory using a real‐space method based on finite...

Celý popis

Podrobná bibliografia

Vydané v:	International journal for numerical methods in engineering Ročník 106; číslo 11; s. 863 - 888
Hlavní autori:	Davydov, Denis, Young, Toby D., Steinmann, Paul
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Bognor Regis Blackwell Publishing Ltd 15.06.2016 Wiley Subscription Services, Inc
Predmet:	adaptive finite element method Algorithms atomic and molecular physics Carbon Computation Finite element method Hydrogen Kohn-Sham equations Lithium Mathematical analysis Mathematical models
ISSN:	0029-5981, 1097-0207
On-line prístup:	Získať plný text
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!