Quantum dynamics in open quantum-classical systems
R Kapral - Journal of Physics: Condensed Matter, 2015 - iopscience.iop.org
Often quantum systems are not isolated and interactions with their environments must be
taken into account. In such open quantum systems these environmental interactions can …
taken into account. In such open quantum systems these environmental interactions can …
Quantum-classical nonadiabatic dynamics: Coupled-vs independent-trajectory methods
Trajectory-based mixed quantum-classical approaches to coupled electron–nuclear
dynamics suffer from well-studied problems such as the lack of (or incorrect account for) …
dynamics suffer from well-studied problems such as the lack of (or incorrect account for) …
Classical description of nonadiabatic quantum dynamics
II. Molecular Systems A. Model Hamiltonian B. Observables of Interest C. Model Systems 1.
Model I: S2→ S1 Internal Conversion in Pyrazine 2. Model II: eC→ eB→ eX Internal …
Model I: S2→ S1 Internal Conversion in Pyrazine 2. Model II: eC→ eB→ eX Internal …
The phase space CCS approach to quantum and semiclassical molecular dynamics for high-dimensional systems
DV Shalashilin, MS Child - Chemical physics, 2004 - Elsevier
The paper reviews the new coupled coherent states (CCS) technique for solution of the time-
dependent Schrödinger equation in phase space, as a method for simulating the quantum …
dependent Schrödinger equation in phase space, as a method for simulating the quantum …
The exact forces on classical nuclei in non-adiabatic charge transfer
The decomposition of electronic and nuclear motion presented in Abedi et al.[Phys. Rev.
Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion …
Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion …
Mapping quantum-classical Liouville equation: Projectors and trajectories
The evolution of a mixed quantum-classical system is expressed in the mapping formalism
where discrete quantum states are mapped onto oscillator states, resulting in a phase space …
where discrete quantum states are mapped onto oscillator states, resulting in a phase space …
LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism
We present a new approach for calculating quantum time correlation functions for systems
whose dynamics exhibits relevant nonadiabatic effects. The method involves partial …
whose dynamics exhibits relevant nonadiabatic effects. The method involves partial …
[HTML][HTML] An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability
We study several recent mean-field semiclassical dynamics methods, focusing on the ability
to recover detailed balance for long time (equilibrium) populations. We focus especially on …
to recover detailed balance for long time (equilibrium) populations. We focus especially on …
Quasiclassical modeling of cavity quantum electrodynamics
We model a collection of N two-level systems (TLSs) coupled to a multimode cavity via
Meyer-Miller-Stock-Thoss (MMST) dynamics, sampling both electronic and photonic zero …
Meyer-Miller-Stock-Thoss (MMST) dynamics, sampling both electronic and photonic zero …
Nonradiative electronic relaxation rate constants from approximations based on linearizing the path-integral Forward− Backward action
We consider two different semiclassical approximations for nonadiabatic quantum-
mechanical correlation functions of the form Tr [Â ei Ĥ et/ℏ B̂ ei Ĥ gt/ℏ], where Ĥ g≠ Ĥ e …
mechanical correlation functions of the form Tr [Â ei Ĥ et/ℏ B̂ ei Ĥ gt/ℏ], where Ĥ g≠ Ĥ e …