Search papers, labs, and topics across Lattice.
Affiliation:
2
0
1
3
Retaining only the electronic centroid mode in spin-mapping nonadiabatic dynamics is sufficient to reproduce full $N$-bead path-integral accuracy while strictly conserving the Quantum Boltzmann Distribution.
The Spin-MInt algorithm's symplecticity is proven for any number of electronic states, a significant leap in the accuracy of nonadiabatic quantum dynamics simulations.