title: Kinetic Rate Kernels via Hierarchical Liouville-Space Projection Operator Approach.
abstract: Kinetic rate kernels in general multisite systems are formulated on the basis of a nonperturbative quantum dissipation theory, the hierarchical equations of motion (HEOM) formalism, together with the Nakajima-Zwanzig projection operator technique. The present approach exploits the HEOM-space linear algebra. The quantum non-Markovian site-to-site transfer rate can be faithfully evaluated via projected HEOM dynamics. The developed method is exact, as evident by the comparison to the direct HEOM evaluation results on the population evolution.
authors.affiliation: Department of Chemistry, Hong Kong University of Science and Technology , Hong Kong, China.
authors.forename: Hou-Dao
authors.initials: HD
authors.lastname: Zhang
authors.affiliation: Department of Chemistry, Hong Kong University of Science and Technology , Hong Kong, China.|Hefei National Laboratory for Physical Sciences at the Microscale, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), University of Science and Technology of China , Hefei 230026, China.
authors.forename: YiJing
authors.initials: Y
authors.lastname: Yan