quantum{ }

Calling sequence

run{ quantum{ } }

Properties

• using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

• items: \(\mathrm{maximum\;1}\)

Dependencies

• The quantum{ } must be defined.

Functionality

Solves the Schrödinger equation. Exchange–correlation effects (optional) can be included and are calculated from the quantum density. Then the Schrödinger equation is solved again but this time including the exchange-correlation potential energy.

Example

run{
    quantum{}
}

quantum{}