A mixed deterministic-stochastic algorithm of the branching corrected mean field method for nonadiabatic dynamics
Related Experiment Video
Updated: Sep 29, 2025

Image Processing Protocol for the Analysis of the Diffusion and Cluster Size of Membrane Receptors by Fluorescence Microscopy
Published on: April 9, 2019
Bing Li1, Jiabo Xu1, Guijie Li1
1Key Laboratory of Excited-State Materials of Zhejiang Province, Department of Chemistry, Zhejiang University, Hangzhou 310027, China.
Abstract:
We present a new algorithm of the branching corrected mean field (BCMF) method for nonadiabatic dynamics [J. Xu and L. Wang, J. Phys. Chem. Lett. 11, 8283 (2020)], which combines the key advantages of the two existed algorithms, i.e., the deterministic BCMF algorithm based on weights of trajectory branches (BCMF-w) and the stochastic BCMF algorithm with random collapse of the electronic wavefunction (BCMF-s). The resulting mixed deterministic-stochastic BCMF algorithm (BCMF-ws) is benchmarked in a series of standard scattering problems with potential wells on the excited-state surfaces, which are common in realistic systems. In all investigated cases, BCMF-ws holds the same high accuracy while the computational time is reduced about two orders of magnitude compared to the original BCMF-w and BCMF-s algorithms, thus promising for nonadiabatic dynamics simulations of general systems.
More Related Videos
09:17Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
Published on: March 1, 2022
10:20Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules
Published on: September 5, 2019
Related Concept Videos
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
Mean free path and Mean free time
Multimachine Stability
In analyzing the system, the nodal equations represent the relationship between bus voltages, machine voltages, and machine currents. The nodal equation is given by:
Mechanistic Models: Compartment Models in Individual and Population Analysis
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
On...
Propagation of Uncertainty from Random Error