The Journal of chemical physics
AO-HEOM: A computational platform for non-Markovian quantum dissipative dynamics in atomic orbital spaces.
Yankai Zhang, Yoshitaka Tanimura
Published: 202610.1063/5.0312209
Abstract
Building upon our previous implementation for the hydrogen atom [Y. Zhang and Y. Tanimura, J. Chem. Phys. 163, 184108 (2025)], we have developed source code for atomic orbital-hierarchical equations of motion (AO-HEOM), a quantum mechanical framework…
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