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We compare two recently developed strategies, implemented in open source software packages, for computing linear optical spectra in condensed phase environments in the presence of nonadiabatic effects. Both approaches rely on computing excitation ene
Externí odkaz:
http://arxiv.org/abs/2406.17994
Autor:
Lambertson E; Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA., Bashirova D; Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA., Hunter KE; Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA., Hansen B; Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA., Zuehlsdorff TJ; Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Sep 21; Vol. 161 (11).
