Phys. Rev. B 62, 2330–2337 (2000)Minimum principles and level splitting in quantum Monte Carlo excitation energies: Application to diamondReceived 6 December 1999; published in the issue dated 15 July 2000 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 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. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.62.2330
DOI:
10.1103/PhysRevB.62.2330
PACS:
71.10.-w, 71.20.Mq, 71.55.Cn
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