Abstract
The variational cluster approximation is applied to the calculation of the single-particle spectral function of $\mathrm{NiO}$. Trial self-energies and the numerical value of the Luttinger-Ward functional are obtained by exact diagonalization of ${\mathrm{NiO}}_{6}$ clusters, and the single-particle parameters of the clusters serve as variational parameters to obtain a stationary point of the grand potential of the lattice system. Good agreement with experiment is obtained.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
