Atomic data

Atomic data required within tad_dftd4:

• chemical hardness

• Pauling electronegativities

• expectation values

• covalent radii

• effective nuclear charge

Some atomic data is imported from the tad_mctc library or indirectly used within the tad_mctc library.

• Data: Chemical hardnesses
• GAM()
• Data: Expectation values
• R4R2()
• Data: Radii
• Data: Weight Factors
• Data: Charges
• ZEFF()