Abstract
A diffusion and variational quantum Monte Carlo (DMC and VMC) study of excitation energies in diamond is reported. Good agreement is found between the DMC results and results from the $\mathrm{GW}$ approximation and, where available, with experiment. A group theoretical analysis is provided of the level splittings arising from the use of arbitrary degenerate single-particle orbitals in the construction of ground- and excited-state determinants. The results are discussed in light of the recently demonstrated variational theorems for excited states in the DMC study.
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.
