CTOCD-DZ calculations

The DALTON program system can be used to perform calculations of the magnetic properties using the Continuous Transformation of the Origin of the Current Density approach (CTOCD) . Setting the diamagnetic contribution to the current density zero, one obtains fully analytical solutions via equations in closed form for several magnetic properties.

In the present version of DALTON, the following properties can be computed by the CTOCD-DZ approach:

• magnetizability
• nuclear magnetic shielding constant
• shielding polarizability
• hypermagnetizability

the last two properties have to be calculated as quadratic response functions as described in Chapter 12.