137 citations · 456 across the 25 of their papers we have counts for
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Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model
Haimi Nguyen, Nathan Ng, Lachlan P. Lindoy +4
We investigate the application of matrix product state (MPS) representations of the influence functionals (IF) for the calculation of real-time equilibrium correlation functions in…
Resonant Cavity Modification of Ground State Chemical Kinetics
Lachlan P. Lindoy, Arkajit Mandal, David R. Reichman
Recent experiments have suggested that ground state chemical kinetics can be suppressed or enhanced by coupling the vibrational degrees of freedom of a molecular system with a radi…
Time Evolution of ML-MCTDH Wavefunctions II: Application of the Projector Splitting Integrator
Lachlan P. Lindoy, Benedikt Kloss, David R. Reichman
The multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) approach suffers from numerical instabilities whenever the wavefunction is weakly entangled. These instabilitie…
Time Evolution of ML-MCTDH Wavefunctions I: Gauge Conditions, Basis Functions, and Singularities
Lachlan P. Lindoy, Benedikt Kloss, David R. Reichman
We derive a family of equations of motion (EOMs) for evolving multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) wavefunctions that, unlike the standard ML-MCTDH EOMs…
Quantum mechanical spin dynamics of a molecular magnetoreceptor
Lachlan P. Lindoy, Thomas P. Fay, David E. Manolopoulos
Radical pair recombination reactions are known to be sensitive to extremely weak magnetic fields, and can therefore be said to function as molecular magnetoreceptors. The classic e…
Electron spin relaxation in radical pairs: Beyond the Redfield approximation
Thomas P. Fay, Lachlan P. Lindoy, David E. Manolopoulos
Relaxation processes can have a large effect on the spin selective electron transfer reactions of radical pairs. These processes are often treated using phenomenological relaxation…
On the calculation of quantum mechanical electron transfer rates
Joseph E. Lawrence, Theo Fletcher, Lachlan P. Lindoy +1
We present a simple interpolation formula for the rate of an electron transfer reaction as a function of the electronic coupling strength. The formula only requires the calculation…
Spin-selective electron transfer reactions of radical pairs: beyond the Haberkorn master equation
Thomas P. Fay, Lachlan P. Lindoy, David E. Manolopoulos
Radical pair recombination reactions are normally described using a quantum mechanical master equation for the electronic and nuclear spin density operator. The electron spin state…