https://www.selleckchem.com/pr....oducts/Telaprevir(VX
This analysis helps understand the superb accuracy of deep variational Ansätze in comparison to the traditional trial wavefunctions at the respective level of theory and will guide future improvements of the neural-network architectures in deep QMC.We investigate how the Hubbard U correction influences vacancy defect migration barriers in transition metal oxide semiconductors. We show that, depending on the occupation of the transition metal d orbitals, the Hubbard U correction can cause severe instabilities in the migration
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