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Functionals and functional derivatives

Consider a function F(y). You can differentiate it, tex2html_wrap_inline682 . Then if you start at a point tex2html_wrap_inline684 and you move a distancegif dy, the function F changes by an amount tex2html_wrap_inline698 .

Now consider a function of several variables, tex2html_wrap_inline700tex2html_wrap_inline702tex2html_wrap_inline704 . Writing the function as tex2html_wrap_inline706 , it has partial derivatives tex2html_wrap_inline708tex2html_wrap_inline710tex2html_wrap_inline704 . If I start at a point tex2html_wrap_inline714tex2html_wrap_inline716tex2html_wrap_inline704 and move to a new point via a displacement tex2html_wrap_inline720tex2html_wrap_inline722tex2html_wrap_inline704 , the function F will change according to

  equation12

Example.
Take a function in 3-dimensional space, tex2html_wrap_inline728 . Defining tex2html_wrap_inline730 , where dxdy, and dz are independent step sizes, we have

displaymath738

We can write the independent variables tex2html_wrap_inline700tex2html_wrap_inline702tex2html_wrap_inline704 collectively as tex2html_wrap_inline746 (n=1, 2,  tex2html_wrap_inline704 ). y then looks like a function of the integer variable n. F is thus a function of the function y.

But a function y(x) in physics usually depends on a variable x that takes on all real values in some interval [a,b]. To relate this to what we have discussed so far, let's choose N points on the interval [a,b] with the points a distance tex2html_wrap_inline690 apart, where tex2html_wrap_inline772 . The tex2html_wrap_inline774 point is at tex2html_wrap_inline776 . We can represent the function y(x) by its values on the N points, so that we consider the function tex2html_wrap_inline782 , which would give more and more information about the original y(x) as tex2html_wrap_inline786 , tex2html_wrap_inline788 .

We can define a function of all the tex2html_wrap_inline790 , namely tex2html_wrap_inline792 . In the limit tex2html_wrap_inline786 , the function F becomes a function of the function y(x). We then call F a functional of y(x), written F[y]. It is a function of all the values of y(x) in the interval [a,b]: an infinite number of independent variables!

A functional takes as input a function y(x) on a domain--not the value of the function at a specific point x, but all the values of y at all the x's in the domain. Its output is a number.

Example.
Define tex2html_wrap_inline818 . Then tex2html_wrap_inline820 and tex2html_wrap_inline822 . F depends on the entire functional form of y(x) in the interval [0,1].

Example.
The simplest functional simply evaluates the input function at a single, specific point. For instance, if F[y(x)]=y(3), then tex2html_wrap_inline832 and tex2html_wrap_inline834 .

If we change the values of tex2html_wrap_inline790 , the function tex2html_wrap_inline792 will change according to (1). Let's rewrite this as

  equation44

How does this look in the tex2html_wrap_inline786 limit? Recall the definition of an integral:

equation51

Rewrite (2) as

  equation56

Taking the limit tex2html_wrap_inline788 , with tex2html_wrap_inline844 , and introducing the notation tex2html_wrap_inline846 , (4) becomes

  equation64

Here tex2html_wrap_inline848 is the particular function y(x) that is the starting point for the arbitrary infinitesimal change tex2html_wrap_inline852 . The tex2html_wrap_inline854 has been absorbed into tex2html_wrap_inline856 ; this can be taken to be the definition of the functional derivative tex2html_wrap_inline856 .

The meaning of (5) is the same as the meaning of (1). The change in F is a sum of terms proportional to the infinitesimal changes tex2html_wrap_inline852 , with constants of proportionality that are just the functional derivative (i.e., the partial derivatives) tex2html_wrap_inline856 . You can think of this derivative as giving the response of the functional F to a small change in y, with the change localized at x.

The preceding discussion gives a definition of the functional derivative, but it does not give a useful method for calculating it since for each problem we would have to define carefully a mesh of points tex2html_wrap_inline872 and a function F of the discrete set tex2html_wrap_inline876 . More usually, we have a functional F[y], defined for functions y of a continuum variable x, and we need its functional derivative. We can start with (5) as a definition of the functional derivative, and use it to calculate.

Example.
Let

equation543

To calculate the functional derivative, we calculate the change dF that is due to an infinitesimal change tex2html_wrap_inline852 in the independent variables:

eqnarray545

Now we throw away tex2html_wrap_inline888 , since tex2html_wrap_inline890 is an infinitesimal and we have in mind the tex2html_wrap_inline892 limit. Thus to first order in tex2html_wrap_inline890 ,

eqnarray547

The infinitesimal change in F due to tex2html_wrap_inline890 is then

  equation549

The crucial step is to compare (9) to (5). We thus identify

equation554

This is the prototype for all calculations of the functional derivative.


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