4 papers
Minimization of disorder as a key design principle for natural sizes of light harvesting 2 complexes
Kwang Hyun Cho, Seogjoo J. Jang, Young Min Rhee
The light harvesting 2 (LH2) complex of purple bacteria has excellent energy conversion efficiency. Clarifying the design principle behind such efficiency at the atomistic level is…
Simple and general unitarity conserving numerical real time propagators of time dependent Schrödinger equation based on Magnus expansion
Taner M. Ture, Seogjoo J. Jang
Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any o…
Nonadiabatic derivative couplings through multiple Franck-Condon modes dictate the energy gap law for near and short-wave infrared dye molecules
Pablo Ramos, Hannah Friedman, Barry Y. Li +4
Near infrared (NIR, 700 - 1,000 nm) and short-wave infrared (SWIR, 1,000 - 2,000 nm) dye molecules exhibit significant nonradiative decay rates from the first singlet excited state…
Fermi's golden rule rate expression for transitions due to nonadiabatic derivative couplings in the adiabatic basis
Seogjoo J. Jang, Byeong Ki Min, Young Min Rhee
Starting from a general molecular Hamiltonian expressed in the basis of adiabatic electronic and nuclear position states, where a compact and complete expression for nonadiabatic d…