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Electronic Configuration
What basis set should I use in ADF?
Relativistic methods
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ADF
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ADF
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Recommendations
Recommendations
ΒΆ
Precision
Electronic Configuration
Spin-unrestricted versus spin-restricted, Spin states
What basis set should I use in ADF?
ZORA or non-relativistic calculation?
Large or small molecule?
Frozen core or all-electron?
Diffuse functions needed?
Normal or even-tempered basis?
Recommendations for Double-hybrids and MP2
What accuracy do the basis sets give?
Relativistic methods