Local-MP2 electron correlation method for nonconducting crystals

• Published in: The Journal of chemical physics Vol. 122; no. 9; p. 094113
• Main Authors: Pisani, C, Busso, M, Capecchi, G, Casassa, S, Dovesi, R, Maschio, L, Zicovich-Wilson, C, Schütz, M
• Format: Journal Article
• Language: English
• Published: United States 01.03.2005

Rigorous methods for the post-HF (HF-Hartree-Fock) determination of correlation corrections for crystalline solids are currently being developed following different strategies. The CRYSTAL program developed in Torino and Daresbury provides accurate HF solutions for periodic systems in a basis set of...