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Density function theory - PowerPoint PPT Presentation

Electric field which acts on core C due to the valence electrons and the other cores.

Hartree-Fock and Quantum Monte Carlo optical gaps (all energies in eV). *Preliminary result. 5.1203(18). 14.3737(23). DMC+CPP. 5.1. Expt. 14.3. 4.87715(73). 14.24249(98). VMC+CPP. 4.7445(16). DMC. 13.9442(22). 4.51420(73). 13.8452(11). VMC. 13.5. 4.3. GW.

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Density function theory - PowerPoint PPT Presentation

Electric field which acts on core C due to the valence electrons and the other cores.