Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory

We present an approach to studying optical band gaps in real solids in which quantum Monte Carlo methods allow for the application of a rigorous variational principle to both ground and excited state wave functions. In tests that include small, medium, and large band gap materials, optical gaps are...

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Veröffentlicht in:	Physical review letters 2019-07, Vol.123 (3)
Hauptverfasser:	Zhao, Luning, Neuscamman, Eric
Format:	Artikel
Sprache:	eng
Schlagworte:	CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Online-Zugang:	Volltext
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