International Workshop on 'New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement'

September 26, 2017 to September 29, 2017
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
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Correlation and Spectroscopy in Reduced Density-Matrix Functional Theory

Pina Romaniello
University Paul Sabatier, France


In this work we explore the performance of approximations to electron correlation as well as to observables in reduced density-matrix functional theory (RDMFT) [1]. Particular focus is put on the spectral function, which determines, for example, photoemission spectra, and which cannot be obtained in a straightforward way from the one-body density matrix, and on the regime of strong electron correlation, which is difficult to treat by standard methods. Using the simple Hubbard model as test case shines light on the content, successes and limits of current RDMFT approaches.


[1] S. Di Sabatino, J.A. Berger, L. Reining, and P. Romaniello, J. Chem. Phys. 143 024108 (2015); Phys. Rev. B 94 155141 (2016).