Can anybody
suggest me for following
1. Best DFT for optimization of transition (1st and
2nd) row elements organometallic compounds.
2. property evaluation such as
dipole moment, magnetic moment, excited state character, thermochemistry
etc.
3. Whether we need all electron basis or ECP for property
evaluation
4. Whether we need relativistic correction or not
Any help
would be appreciated. Thanks in advance.
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