First and Second HK theorems

[sarae_02]

The first theorem states that there is a one-to-one relation between the external potential function, wave function and the density function. This allows us to work with just the external potential and the density function. On the other hand, the second theorem states that the functional that returns the g-s energy when applying the g-s density, returns a higher energy when using another density. This second theorem gives us guidance for looking for the g-s density by minimizing the energy functional.

In conclusion, even though the theorems give information regarding the relationship between the energy functional and the density function, the statements are independent from each other.

[Author]

Posts