TDDFT calculations using GPAW

TDDFT calculations are performed usin GPAW inplemented in LITESOPH.

Results for Na8 Chain using GUI for GPAW Engine

For the molecular system Na8 chain, the following results are obtained using LITESOPH-GUI.

Spectrum Analysis

The Oscillator strength (/eV) with Energy (eV) is shown bellow:

GPAW

Transition Contribution Map (TCM)

It can be visualized the photoabsorption decomposition as a TCM. The photoabsorption TCM of Na8 at 1.00 eV is shown bellow:

GPAW

Population Evolution

The change in population with time for Na8 chain is shown bellow:

GPAW