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• W2000562507 abstract "Results are reported on the geometry optimisation of periodic systems with the Hartree–Fock analytical gradients recently implemented in the Crystal code. Application to the structure optimisation of molecules, polymers, slabs and crystals is presented." @default.
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• W2000562507 date "2001-11-01" @default.
• W2000562507 modified "2023-09-29" @default.
• W2000562507 title "Hartree–Fock geometry optimisation of periodic systems with the Crystal code" @default.
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• W2000562507 doi "https://doi.org/10.1016/s0009-2614(01)01081-8" @default.
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