q ( t + Δ t 2 ) = q ( t ) + Δ t 2 p ( t ) M ψ ( t + Δ t 2 ) = exp ( − i ℏ Δ t 2 t ^ ) ψ ( t ) p ( t + Δ t ) = p ( t ) + Δ t F ( t + Δ t 2 ) ψ ( t + Δ t ) = exp ( − i ℏ Δ t 2 t ^ ) exp ( − i ℏ Δ t V ( t + Δ t 2 ) ) ψ ( t + Δ t 2 ) q ( t + Δ t ) = q ( t + Δ t 2 ) + Δ t 2 p ( t + Δ t ) M
t ^
Δ t
pickaback integrator for quantum-classical dynamics
symplectic time integration scheme for mean-field or Ehrenfest approach to quantum-classical dynamics