Second order differencing method (propagation scheme for the time-dependent Schrödinger equation based on a time-symmetric explicit Euler scheme)

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Community: MathModDB

discrete-time expression mathematical expression

Available identifiers

WikidataQ115616932 ScholiaQ115616932MaRDI QIDQ6674270 FDOQ6674270


Named after

Erwin Schrödinger



Essentially a symmetric (and symplectic!) combination of Euler forward and backward methods.

|ψ(t+Δt)=|ψ(tΔt)2iΔtĤ/|ψ(t)+𝒪(Δt)3
H represents Hamiltonian operator
Δt represents time step
represents reduced Planck constant
i represents imaginary unit
ψ represents quantum state vector (dynamic)

Contained entities

Euler forward method yn+1=yn+hf(tn,yn)
f represents right hand side of differential equation
h represents time step
t represents time
y represents unknown function
backward Euler method yn+1=yn+hf(tn+1,yn+1)
y represents unknown function
f represents right hand side of differential equation
h represents time step
t represents time


References

A comparison of different propagation schemes for the time dependent Schrödinger equation
Explicit integration method for the time-dependent Schrodinger equation for collision problems


Similar mathematical expressions

Schrödinger equation (differencing scheme)
Verlet integration



Item Property
Schrödinger equation (differencing scheme) specialized by
Schrödinger equation (time dependent) discretized by
Verlet integration similar to


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