TY - JOUR
T1 - Towards ab initio Calculations with the Dynamical Vertex Approximation
AU - Galler, Anna
AU - Kaufmann, Josef
AU - Gunacker, Patrik
AU - Pickem, Matthias
AU - Thunström, Patrik
AU - Tomczak, Jan M.
AU - Held, Karsten
PY - 2018
Y1 - 2018
N2 - While key effects of the many-body problem — such as Kondo and Mott physics — can be understood in terms of on-site correlations, non-local fluctuations of charge, spin, and pairing amplitudes are at the heart of the most fascinating and unresolved phenomena in condensed matter physics. Here, we review recent progress in diagrammatic extensions to dynamical mean-field theory for ab initio materials calculations. We first recapitulate the quantum field theoretical background behind the two-particle vertex. Next we discuss latest algorithmic advances in quantum Monte Carlo simulations for calculating such two-particle quantities using worm sampling and vertex asymptotics, before giving an introduction to the ab initio dynamical vertex approximation (AbinitioDΓA). Finally, we highlight the potential of AbinitioDΓA by detailing results for the prototypical correlated metal SrVO3
AB - While key effects of the many-body problem — such as Kondo and Mott physics — can be understood in terms of on-site correlations, non-local fluctuations of charge, spin, and pairing amplitudes are at the heart of the most fascinating and unresolved phenomena in condensed matter physics. Here, we review recent progress in diagrammatic extensions to dynamical mean-field theory for ab initio materials calculations. We first recapitulate the quantum field theoretical background behind the two-particle vertex. Next we discuss latest algorithmic advances in quantum Monte Carlo simulations for calculating such two-particle quantities using worm sampling and vertex asymptotics, before giving an introduction to the ab initio dynamical vertex approximation (AbinitioDΓA). Finally, we highlight the potential of AbinitioDΓA by detailing results for the prototypical correlated metal SrVO3
UR - https://doi.org/10.7566/JPSJ.87.041004
U2 - 10.7566/JPSJ.87.041004
DO - 10.7566/JPSJ.87.041004
M3 - Article
SN - 0031-9015
VL - 87
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
IS - 4
M1 - 041004
ER -