Quantum dynamical effects of vibrational strong coupling in chemical reactivity

LP Lindoy, A Mandal, DR Reichman - Nature Communications, 2023 - nature.com
Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …

Recent developments in Kramers' theory of reaction rates

E Pollak, S Miret‐Artés - ChemPhysChem, 2023 - Wiley Online Library
In this short review, we provide an update of recent developments in Kramers' theory of
reaction rates. After a brief introduction stressing the importance of this theory initially …

Resonant cavity modification of ground-state chemical kinetics

LP Lindoy, A Mandal, DR Reichman - The Journal of Physical …, 2022 - ACS Publications
Recent experiments have suggested that ground-state chemical kinetics can be suppressed
or enhanced by coupling molecular vibrations with a cavity radiation mode. Here, we …

Numerical path integral techniques for long time dynamics of quantum dissipative systems

N Makri - Journal of Mathematical Physics, 1995 - pubs.aip.org
Recent progress in numerical methods for evaluating the real-time path integral in
dissipative harmonic environments is reviewed. Quasi-adiabatic propagators constructed …

Quantum rates for a double well coupled to a dissipative bath: Accurate path integral results and comparison with approximate theories

M Topaler, N Makri - The Journal of chemical physics, 1994 - pubs.aip.org
We present accurate fully quantum calculations of thermal rate constants for a symmetric
double well system coupled to a dissipative bath. The calculations are performed using the …

Anderson's considerations on the flow of superfluid helium: Some offshoots

E Varoquaux - Reviews of Modern Physics, 2015 - APS
Nearly five decades have elapsed since the seminal 1966 paper of PW Anderson on the
flow of superfluid helium, He 4 at that time. Some of his “considerations”—the role of the …

Quantum dissipative dynamics: A numerically exact methodology

N Makri - The Journal of Physical Chemistry A, 1998 - ACS Publications
A fully quantum mechanical methodology for simulating the time evolution of low-
dimensional systems in harmonic dissipative environments is presented. The key features of …

Proton transfer reactions in model condensed-phase environments: Accurate quantum dynamics using the multilayer multiconfiguration time-dependent Hartree …

IR Craig, M Thoss, H Wang - The Journal of chemical physics, 2007 - pubs.aip.org
The recently proposed multilayer multiconfiguration time-dependent Hartree (ML-MCTDH)
approach to evaluating reactive quantum dynamics is applied to two model condensed …

[图书][B] Quantum tunneling in complex systems: the semiclassical approach

J Ankerhold - 2007 - Springer
In the last two decades remarkable progress has been made in understanding and
describing tunneling processes in complex systems in terms of classical trajectories. This …

Transition path time distribution and the transition path free energy barrier

E Pollak - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
The recent experimental measurement of the transition path time distributions of proteins
presents several challenges to theory. Firstly, why do the fits of the experimental data to a …