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20042025
most citedRaman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations

33 citations · 41 across the 5 of their papers we have counts for

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physics.comp-ph2005

Analytical Hartree-Fock gradients with respect to the cell parameter: systems periodic in one and two dimensions

K. Doll, R. Dovesi, R. Orlando

Analytical Hartree-Fock gradients with respect to the cell parameter have been implemented in the electronic structure code CRYSTAL, for the case of one and two-dimensional periodi…