Static and Dynamic Studies of Excitation in a Fullerene–Anthracene Complex

We investigate the static and dynamic aspects of an anthracene-fullerene complex. Our detailed investigation includes (a) systematic scrutiny of the complex in its stable state through the examination of its chemical reactivity parameters and absorption spectra and (b) exploration of its dynamic behavior in excited states at a femtosecond time scale. To achieve this, we employ a combination of ab initio molecular dynamics (AIMD) and …