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'''Numerov's method''' is a numerical method to solve [[ordinary differential equation]]s of second order in which the first-order term does not appear. It is a fourth-order [[linear multistep method]]. The method is implicit, but can be made explicit if the differential equation is linear.
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Numerov's method was developed by [[Boris Vasil'evich Numerov]].
 
==The method==
The Numerov method can be used to solve differential equations of the form
 
:<math>
\left ( \frac{d^2}{dx^2} + f(x) \right ) y(x) = 0
</math>
 
The function <math>y(x)</math> is sampled in the interval [a..b] at equidistant positions <math>x_n</math>. Starting from function values at two consecutive samples <math>x_{n-1}</math> and <math>x_n</math> the remaining function values can be calculated as
 
:<math>
y_{n+1} = \frac {\left( 2-\frac{5 h^2}{6} f_n \right) y_n - \left( 1+\frac{h^2}{12}f_{n-1} \right)y_{n-1}}{1+\frac{h^2}{12}f_{n+1}}
</math>
 
where <math>f_n=f(x_n)</math> and <math>y_n=y(x_n)</math> are the function values at the positions <math>x_n</math> and <math>h=x_n-x_{n-1}</math> is the distance between two consecutive samples.
 
=== Nonlinear equations ===
 
For nonlinear equations of the form
 
:<math> \frac{d^2}{dt^2} y = f(t,y) </math>
 
the method is given by
 
:<math> y_{n+1} = 2y_n - y_{n-1} + \tfrac{1}{12} h^2 (f_{n+1} + 10f_n + f_{n-1}). </math>
 
This is an implicit [[linear multistep method]], which reduces to the explicit method given above if the function ''f'' is linear in ''y''. It achieves order 4 {{harv|Hairer|Nørsett|Wanner|1993|loc=§III.10}}.
 
==Application==
 
In numerical physics the method is used to find solutions of the radial [[Schrödinger Equation]] for arbitrary potentials.
 
:<math>
\left [ -{\hbar^2 \over 2\mu} \left ( \frac{1}{r} {\partial^2  \over \partial r^2} r- {l(l+1) \over r^2} \right ) + V(r) \right ] R(r) = E R(r)
</math>
 
The above equation can be rewritten in the form
 
:<math>
\left [ {\partial^2  \over \partial r^2} - {l(l+1) \over r^2} + { 2\mu \over \hbar^2} \left( E - V(r)\right) \right ] u(r) = 0
</math>
 
with <math> u(r) = r R(r)</math>. If we compare this equation with the defining equation of the Numerov method we see
 
:<math>
f(x) = \frac{2\mu}{\hbar^2} \left(E - V(x) \right) - \frac{l(l+1)}{x^2}
</math>
 
and thus can numerically solve the radial Schrödinger equation.
 
==Derivation==
Start with the [[Taylor expansion]] of <math>y(x)</math> about a point <math>x_0</math>:
 
:<math>
y(x) = y(x_0) + (x-x_0)y'(x_0) + \frac{(x-x_0)^2}{2!}y''(x_0) + \frac{(x-x_0)^3}{3!}y'''(x_0) + \frac{(x-x_0)^4}{4!}y''''(x_0) + \frac{(x-x_0)^5}{5!}y'''''(x_0) + \mathcal{O} (h^6)
</math>
 
Denote the distance from <math>x</math> to <math>x_0</math> by <math>h=x-x_0</math> and, noting that this means <math>x=x_0+h</math>, we can write the above equation as
:<math>
y(x_0+h) = y(x_0) + hy'(x_0) + \frac{h^2}{2!}y''(x_0) + \frac{h^3}{3!}y'''(x_0) + \frac{h^4}{4!}y''''(x_0) + \frac{h^5}{5!}y'''''(x_0) + \mathcal{O} (h^6)
</math>
 
Computationally, this amounts taking a step ''forward'' by an amount h. If we want to take a step ''backwards'', replace every h with -h for the equation of <math>y(x_0-h)</math>:
 
:<math>
y(x_0-h) = y(x_0) - hy'(x_0) + \frac{h^2}{2!}y''(x_0) - \frac{h^3}{3!}y'''(x_0) + \frac{h^4}{4!}y''''(x_0) - \frac{h^5}{5!}y'''''(x_0) + \mathcal{O} (h^6)
</math>
 
Note that only the odd powers of h experienced a sign change. On an evenly spaced grid, the ''n''th site on a computational grid corresponds to position <math>x_n</math> if the step-size between grid points are of length <math>h</math> (hence h should be small for the computation to be accurate). This means we have sampling points <math>(x_{n-1},y_{n-1})</math> and <math>(x_{n+1},y_{n+1})</math>. Taking the equations for <math>y_{n-1}</math> and <math>y_{n+1}</math> from continuous space to discrete space, we see that
 
:<math>
y_{n+1} = y(x_n+h) = y(x_n) + hy'(x_n) + \frac{h^2}{2!}y''(x_n) + \frac{h^3}{3!}y'''(x_n) + \frac{h^4}{4!}y''''(x_n) + \frac{h^5}{5!}y'''''(x_n) + \mathcal{O} (h^6)
</math>
:<math>
y_{n-1} = y(x_n-h) = y(x_n) - hy'(x_n) + \frac{h^2}{2!}y''(x_n) - \frac{h^3}{3!}y'''(x_n) + \frac{h^4}{4!}y''''(x_n) - \frac{h^5}{5!}y'''''(x_n) + \mathcal{O} (h^6)
</math>
 
The sum of those two equations gives
:<math>
y_{n-1} + y_{n+1} = 2y_n + {h^2}y''_n + \frac{h^4}{12}y''''_n + \mathcal{O} (h^6)
</math>
 
We solve this equation for <math>y''_n</math> and replace it by the expression <math>y''_n = -f_n y_n</math> which we get from the defining differential equation.
 
:<math>
h^2 f_n y_n = 2y_n-y_{n-1} - y_{n+1} + \frac{h^4}{12}y''''_n + \mathcal{O} (h^6)
</math>
 
We take the second derivative of our defining differential equation and get
:<math>
y''''(x) = - \frac{d^2}{d x^2} \left[ f(x) y(x) \right]
</math>
We replace the second derivative <math>\frac{d^2}{d x^2}</math> with the second order [[difference quotient]] and insert this into our equation for <math> f_n y_n</math> (note that we take the mixed forward and backward finite difference, '''not''' the double forward difference or the double backward difference)
 
:<math>
h^2 f_n y_n = 2y_n-y_{n-1} - y_{n+1} - \frac{h^4}{12} \frac{f_{n-1} y_{n-1} -2 f_{n} y_{n} + f_{n+1} y_{n+1}}{h^2} + \mathcal{O} (h^6)
</math>
 
We solve for <math>y_{n+1}</math> to get
 
:<math>
y_{n+1} = \frac {\left( 2-\frac{5 h^2}{6} f_n \right) y_n - \left( 1+\frac{h^2}{12}f_{n-1} \right)y_{n-1}}{1+\frac{h^2}{12}f_{n+1}} + \mathcal{O} (h^6).
</math>
 
This yields Numerov's method if we ignore the term of order <math>h^6</math>. It follows that the order of convergence (assuming stability) is 4.
 
== References ==
* {{Citation | last1=Hairer | first1=Ernst | last2=Nørsett | first2=Syvert Paul | last3=Wanner | first3=Gerhard | title=Solving ordinary differential equations I: Nonstiff problems | publisher=[[Springer-Verlag]] | location=Berlin, New York | isbn=978-3-540-56670-0 | year=1993}}. <br> This book includes the following references:
* {{Citation | last1=Numerov | first1=Boris Vasil'evich | author1-link=Boris Vasil'evich Numerov | title=A method of extrapolation of perturbations | year=1924 | journal=[[Monthly Notices of the Royal Astronomical Society]] | volume=84 | pages=592–601|bibcode = 1924MNRAS..84..592N }}.
* {{Citation | last1=Numerov | first1=Boris Vasil'evich | author1-link=Boris Vasil'evich Numerov | title=Note on the numerical integration of d<sup>2</sup>''x''/d''t''<sup>2</sup> = ''f''(''x'',''t'') | year=1927 | journal=[[Astronomische Nachrichten]] | volume=230 | pages=359–364|bibcode = 1927AN....230..359N }}.
 
==External links==
*[http://www.jkrieger.de/download/computerphysik.pdf Lecture notes: Computerphysik und Numerik] - by Jan Krieger
*[http://magnet.atp.tuwien.ac.at/scholz/projects/numerov/node2.html#SECTION00020000000000000000 Lecture notes of Werner Scholz] - At Vienna University of Technology
*[http://www.stellarcom.org/aw/Physik/cp/node48.html Lecture notes of Alexander Wagner]
 
[[Category:Numerical differential equations]]

Latest revision as of 11:52, 9 January 2015

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