Electrical properties of a molecule

[Ngineer]

Hello everyone,

Is there a straightforward way to determine the electrical properties, such as the dielectric constant (or function), of a molecule (for instance, a metal oxide)?

I understand a simple weight-average model wouldn't work for various reasons.

Thanks so much!

 

[Baluncore]

Is there a straightforward way to determine the electrical properties, such as the dielectric constant (or function), of a molecule (for instance, a metal oxide)?

Unfortunately there is no general solution.

The elements have different electron structures, which is what makes atoms elemental.
https://en.wikipedia.org/wiki/Electron_configuration#Periodic_table

When elements are combined the available electrons form different types and degrees of bonding to form molecules, with different physical properties. The movement of electrons about the molecule makes wide possibilities for quantum energy conversion.
https://en.wikipedia.org/wiki/Chemical_bond

There are patterns in some areas, but you need to look closely before you can guess at or predict the properties. The presence of low levels of impurities can have significant effects.