International Journal Open Access

From molecules to solids with the DMol3 approach

B. Delley

The Journal of Chemical Physics

2000

American Institute of Physics

11027 citations

Article

Pseudopotential (0.91) Basis (linear algebra) (0.67) Basis set (0.60) Standard enthalpy of formation (0.55) Molecule (0.51)

From molecules to solids with the DMol3 approach - Full text available via OpenAlex

B. Delley

ORCID

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