Phase Diagram and Electronic Structure of Praseodymium and Plutonium

We develop a new implementation of the Gutzwiller approximation in combination with the local density approximation, which enables us to study complex 4f and 5f systems beyond the reach of previous approaches. We calculate from first principles the zero-temperature phase diagram and electronic struc...

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Bibliographic Details
Main Authors: Nicola Lanatà, Yongxin Yao, Cai-Zhuang Wang, Kai-Ming Ho, Gabriel Kotliar
Format: Article
Language:English
Published: American Physical Society 2015-01-01
Series:Physical Review X
Online Access:http://doi.org/10.1103/PhysRevX.5.011008