pickaback integrator for quantum-classical dynamics
type: Item
community: MathModDB
MaRDI profile type: MaRDI formula profile
instance of: mathematical expression
instance of: discrete-time expression
defining formula: 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
described by source: Quantum-classical molecular dynamics as an approximation to full quantum dynamics
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in defining formula: t ^
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in defining formula: F
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description: symplectic time integration scheme for mean-field or Ehrenfest approach to quantum-classical dynamics