The CRYSTAL code, 1976-2020 and beyond, a long story.
作者： Roberto Dovesi , Fabien Pascale , Bartolomeo Civalleri , Klaus Doll , Nicholas M. Harrison
DOI: 10.1063/5.0004892
关键词:
摘要: … -exchange Hartree-Fock calculations for periodic systems. II. … The DFT exchange–correlation contribution to the Fock … from the Gauss–Legendre radial quadrature and Lebedev two-…
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