Simulationsmethoden ed

Numerik ed

Differentiation ed

forward two-point formula
\( f'(n) = \frac{ f(n+1) - f(n) } h + O(h) \)

backwards two-point formula
\( f'(n) = \frac{ f(n) - f(n-1) } h + O(h) \)

central 3-point formula
\( f'(n) = \frac{ f(n+1) - f(n-1) }{ 2 h } + O(h^2) \)
\( f''(n) = \frac{ f(n+1) - 2 f(n) + f(n-1) }{ h^2 } + O(h^2) \)

Integration ed

Trapezregel
\( S_T = h \left( \frac 12 f(0) + f(1) + \cdots + f(N-2) + \frac 12 f(N-1) \right) + O(h^2) \)

...

klassische Bewegungsgleichungen ed

Euler ed

Euler
\( v(n+1) = v(n) + \tau a(n) \)
\( x(n+1) = x(n) + \tau v(n) \)

Verlet ed

Verlet
a hängt nicht von v ab!
\( x(n+1) = 2 x(n) - x(n-1) + \tau^2 a(n) \)
\( v(n) = \frac{ x(n+1) - x(n-1) }{ 2 \tau } \)

Velocity Verlet
\( x(n+1) = x(n) + \tau v(n) + \frac{ \tau^2 }2 a(n) \)
\( v(n+1) = v(n) + \frac \tau 2 ( a(n) + a(n+1) ) \)

Leap-frog
\( v(n+\frac 12) = v(n-\frac 12) + \tau a(n) \)
\( x(n+1) = x(n) + \tau v(n+\frac 12) \)

mit Reibung
lineare Abhängigkeit von v: \( a(x,v,t) = a^0(x,t) - \Gamma v \)
\( v(n+1) = ( 1 + \frac \tau 2 \Gamma )^{-1} \left( ( 1 - \frac \tau 2 \Gamma ) v(n) + \frac \tau 2 ( a^0(n) + a^0(n+1) ) \right) \)
\( x(n+1) = x(n) + \tau ( 1 + \frac \tau 2 \Gamma ) v(n) + \frac{ \tau^2 }2 a^0(n) \)

Stabilität ed

...exp-Funktion in Methode einsetzen... Frequenz reell->stabil, imaginär->schlecht

Runge-Kutta ed

partielle Differentialgleichungen ed

molekulare Dynamik ed

Zufallszahlen ed

klassisches Monte Carlo ed

Schrödingergleichung ed

Quantengitter-Modelle ed