One-dimensional mimicking of electronic structure: The case for exponentials

An exponential interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts. Relative to the more commonly used soft-Coulomb interaction, the exponential greatly diminishes the computational time needed for calculatin...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical review. B 2015-06, Vol.91 (23), Article 235141
Hauptverfasser:	Baker, Thomas E., Stoudenmire, E. Miles, Wagner, Lucas O., Burke, Kieron, White, Steven R.
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation Condensed matter Coulomb friction Density Hydrogen atoms Mathematical analysis Operators Three dimensional
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!