Spin–phonon coupling and magnetic relaxation in single-molecule magnets
Electron–phonon coupling is important in many physical phenomena, eg photosynthesis,
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
Coherence in Chemistry: Foundations and Frontiers
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …
unsurprising that coherence has deep connections with the most contemporary issues in …
Quantum‐classical path integral evaluation of reaction rates with a near‐equilibrium flux formulation
Quantum‐classical formulations of reactive flux correlation functions require the partial Weyl–
Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …
Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …
Quantum dynamical effects of vibrational strong coupling in chemical reactivity
Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …
placing molecular systems inside infrared cavities where molecular vibrations are strongly …
[BOOK][B] The Langevin equation: with applications to stochastic problems in physics, chemistry and electrical engineering
W Coffey, YP Kalmykov - 2012 - books.google.com
This volume is the third edition of the first-ever elementary book on the Langevin equation
method for the solution of problems involving the translational and rotational Brownian …
method for the solution of problems involving the translational and rotational Brownian …
[HTML][HTML] Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics
The flux formulation of reaction rate theory is recast in terms of the expectation value of the
reactive flux with an initial condition that corresponds to a non-equilibrium, factorized …
reactive flux with an initial condition that corresponds to a non-equilibrium, factorized …
Decoherence-induced surface hop**
A simple surface hop** method for nonadiabatic molecular dynamics is developed. The
method derives from a stochastic modeling of the time-dependent Schrödinger and master …
method derives from a stochastic modeling of the time-dependent Schrödinger and master …
Tensor propagator for iterative quantum time evolution of reduced density matrices. I. Theory
For common condensed phase problems described by a low‐dimensional system coupled
to a harmonic bath, Feynman's path integral formulation of time‐dependent quantum …
to a harmonic bath, Feynman's path integral formulation of time‐dependent quantum …
Resonance theory of vibrational strong coupling enhanced polariton chemistry and the role of photonic mode lifetime
Recent experiments demonstrate polaritons under the vibrational strong coupling (VSC)
regime can modify chemical reactivity. Here, we present a complete theory of VSC-modified …
regime can modify chemical reactivity. Here, we present a complete theory of VSC-modified …
Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology
In a recent Letter [Chem. Phys. Lett. 221, 482 (1994)], we demonstrated that the dynamics of
reduced density matrices for systems in contact with dissipative harmonic environments can …
reduced density matrices for systems in contact with dissipative harmonic environments can …