eon.approach

Prepared population imbalance on a two-state rate matrix.

Approach to equilibrium and adaptive kinetic Monte Carlo are the same experiment on different generators. This module propagates the rate matrix. A cluster has no box length, so the decay time is not turned into a conductivity.

Module Contents

Functions

arrhenius_rate	Harmonic transition-state rate in Hz.
prepared_imbalance	Decay time, in seconds, of a prepared population imbalance.
survival	Remaining imbalance exp(-t/tau).
recurrence_time	Mean return time of a saddle that comes back to the same basin.

Data

K_B

API

eon.approach.K_B

8.617333262145177e-05

eon.approach.arrhenius_rate(barrier_eV, temperature_K, prefactor_hz=1000000000000.0)

Harmonic transition-state rate in Hz.

eon.approach.prepared_imbalance(forward_rate, reverse_rate)

Decay time, in seconds, of a prepared population imbalance.

The two-state generator relaxes as exp(-t/tau) with tau = 1/(k_f + k_b).

eon.approach.survival(time_s, decay_time_s)

Remaining imbalance exp(-t/tau).

eon.approach.recurrence_time(rate)

Mean return time of a saddle that comes back to the same basin.

That process has no population mode.