A time dependent stochastic DFT with non-local exchange interaction is developed for calculations of optical absorption. The attractive electron-hole interaction, which leads to the formation of excitons, is included through TDDFT with a non-local exchange interaction which is computed very efficiently through a stochastic scheme. The method is inexpensive and scales quadratically with the number of<br/>electrons, at almost the same (low) cost of TDLDA with local functionals. Our results are in excellent agreement with experimental data and the efficiency of the approach is demonstrated on large finite phosphorene sheets containing up to 1958 valence electrons.

Excitonic effects with stochastic TDDFT: Application to large phosphorene sheets

256th National Meeting (2018)

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