You can absolutely formalize proofs using diagonalization arguments on a computer in just the same way you would formalize any other proof. For example here's the Metamath formalization of Cantor's argument that a set cannot be equinumerous to its power set:
https://us.metamath.org/mpeuni/canth.htmlIn mathematics we often use language to talk about a hypothetical function without actually implementing it in any specific programming language. Formal proofs do exactly the same thing in their own formal language.
Although in the case of Cantor's diagonal argument, I don't know in what sense any function involved in that proof would even fail to be implementable in a specific programming language,. Let's say I encode each real number x such that 0 <= x < 1 in my program as a function which takes a positive integer n and returns the n'th digit of x after the decimal point. In Python syntax:
from typing import Callable
# PosInt, Zero and One aren't built-in Python types but just assume they are
Number = Callable[[PosInt], Zero | One]
Sequence = Callable[[PosInt], Number]
The function involved in the diagonalisation argument can then be implemented as follows:
def diagonalize(sequence: Sequence) -> Number:
def diagonal(n: PosInt) -> Zero | One:
if sequence(n)(n) == 0:
return 1
else:
return 0
return diagonal
The argument consists of the the observation that whatever sequence you pass as an argument into "diagonalize", the returned number will not be present in the sequence since for every positive integer n, the n'th digit of the returned number will be different from the n'th digit of the n'th number in the sequence, and hence the returned number is distinct from the n'th number in the sequence. Since this holds for every positive integer n, we can conclude that the returned number is distinct from every number in the sequence.
This is just a simple logical argument---it wouldn't be too hard to write it down explicitly as a natural deduction tree where each step is explicitly inferred from previous one using rules like modus ponens, but I'm not going to bother doing that here.