Abstract:<p>This study arises from the attempt to answer the following question: how different descriptions
of electronic exchange and correlation affect the high-harmonic generation (HHG) spectroscopy
of H2, N2 and CO2 molecules? We compare HHG spectra for H2, N2 and CO2 with different ab
initio electronic structures methods: real-time time-dependent configuration interaction (RT-TDCIS) and real-time time-dependent density functional theory (RT-TDDFT) using truncated basis
sets composed of correlated wave functi… Show more
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