Simplified DFT methods for consistent structures and energies of large systems

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:chu74042828
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Popular quantum chemical methods offer a good compromise between computational cost and accuracy but the search for improved approaches is still ongoing.This is of particular importance if a broad range of properties are considered.
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