Generalised adiabatic connection in ensemble density-functional theory for excited states: example of the H2 molecule
Author:
Affiliation:
1. Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, Strasbourg, France
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.858191
Reference56 articles.
1. Progress in Time-Dependent Density-Functional Theory
2. The energy density functional formalism for excited states
3. Generalization of the Kohn—Sham ϱ result for excited states
4. Density-functional theory for excited states in a quasi-local-density approximation
5. Density-functional theory for ensembles of fractionally occupied states. I. Basic formalism
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