Decoherence and its role in electronically nonadiabatic dynamics
Y Shu, DG Truhlar - Journal of Chemical Theory and Computation, 2023 - ACS Publications
Decoherence is the tendency of a time-evolved reduced density matrix for a subsystem to
assume a form corresponding to a statistical ensemble of states rather than a coherent …
assume a form corresponding to a statistical ensemble of states rather than a coherent …
Manipulating nonadiabatic conical intersection dynamics by optical cavities
Optical cavities hold great promise to manipulate and control the photochemistry of
molecules. We demonstrate how molecular photochemical processes can be manipulated …
molecules. We demonstrate how molecular photochemical processes can be manipulated …
Mapping electronic decoherence pathways in molecules
Establishing the fundamental chemical principles that govern molecular electronic quantum
decoherence has remained an outstanding challenge. Fundamental questions such as how …
decoherence has remained an outstanding challenge. Fundamental questions such as how …
Electronic coherence and coherent dephasing in the optical control of electrons in graphene
C Heide, T Eckstein, T Boolakee, C Gerner… - Nano Letters, 2021 - ACS Publications
Electronic coherence is of utmost importance for the access and control of quantum-
mechanical solid-state properties. Using a purely electronic observable, the photocurrent …
mechanical solid-state properties. Using a purely electronic observable, the photocurrent …
Real-space and real-time propagation for correlated electron–nuclear dynamics based on exact factorization
We present coupled equations of motion for correlated electron–nuclear dynamics for real-
space and real-time propagation with a proper electron–nuclear correlation (ENC) from the …
space and real-time propagation with a proper electron–nuclear correlation (ENC) from the …
Manipulating two-photon-absorption of cavity polaritons by entangled light
We demonstrate that two-photon excitations to bipolariton states created by placing several
molecules in an optical cavity can be manipulated by quantum light. Entangled photons can …
molecules in an optical cavity can be manipulated by quantum light. Entangled photons can …
Coherent and incoherent contributions to molecular electron transport
We numerically isolate the limits of validity of the Landauer approximation to describe
charge transport along molecular junctions in condensed phase environments. To do so, we …
charge transport along molecular junctions in condensed phase environments. To do so, we …
Tuning and enhancing quantum coherence time scales in molecules via light-matter hybridization
Protecting quantum coherences in matter from the detrimental effects introduced by its
environment is essential to employ molecules and materials in quantum technologies and …
environment is essential to employ molecules and materials in quantum technologies and …
[HTML][HTML] When can quantum decoherence be mimicked by classical noise?
Quantum decoherence arises due to uncontrollable entanglement between a system and its
environment. However, the effects of decoherence are often thought of and modeled through …
environment. However, the effects of decoherence are often thought of and modeled through …
Generalized theory for the timescale of molecular electronic decoherence in the condensed phase
We introduce a general theory of electronic decoherence for molecules in the condensed
phase that captures contributions coming from pure dephasing effects, electronic transitions …
phase that captures contributions coming from pure dephasing effects, electronic transitions …