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linear algebra - Efficient algorithm to generate a basis for exact diagonalization


The problem is described as follows:


I need to generate a basis(matrix) in lexicographic order.


For two different basis vector $\{n_1,n_2,\cdots,n_M\}$ and $\{t_1,t_2,\cdots,t_M\}$, there must exist a certain index $1\leq k \leq M-1$ such that $n_i=t_i$ for $1\leq i \leq k-1$, while $n_k \neq t_k$. We say $\{n_1,n_2,\cdots,n_M\}$ is superior to $\{t_1,t_2,\cdots,t_M\}$ if $n_k>t_k$.


The whole algorithm can be described as follows, supposing $n_1+n_2+\cdots+n_M=N$,


Starting from $\{N,0,0,\cdots,0\}$, supposing $n_k \neq 0$ while ni=0 for all $k+1 \leq i \leq M-1$, then the next basis vector is $\{t_1,t_2,\cdots,t_M\}$ with



(1) $t_i=n_i$, for $1\leq i \leq k-1$;


(2) $t_k=n_k -1$;


(3) $t_{(k+1)}$=N-Sum[ni,{i,1,k}]


(4) $t_i=0$ for $i\geq k+2$


The generating procedure shall stop at the final vector {0,0,...,0,N}


My code is presented as follows


baseGenerator[M_Integer, N_Integer] :=
NestList[
Block[{k, base},
k = Part[{M}-FirstPosition[Reverse[#[[1 ;; M - 1]]], x_ /; x > 0], 1];

base = #;
base[[k]] = #[[k]] - 1;
base[[k + 1]] = N - Total[#[[1 ;; k]]] + 1;
base[[k + 2 ;; M]] = 0;
base] &,
Join[{N}, ConstantArray[0, M - 1]], (N + M - 1)!/(N!*(M - 1)!) - 1]

Each line corresponds to a specfic step described above. I don't think my code is efficient since it cost much more time than MATLAB writing with loop. Is there any method to improve it a lot ?


In fact, most of the time is costed when calculating position $k$ with command FirstPosisiton.



Answer




Matlab is the fertile soil of bad Mathematica programming... try


baseGenerator2[m_Integer, n_Integer] := 
Reverse@Sort[Join @@ Permutations /@ IntegerPartitions[n, {m}, Range[n, 0, -1]]]

And for your own sanity, don't use uppercase initials on symbols - you may very well clash with built-ins and/or create debugging nightmares (e.g. N is a built-in, by happenstance you did not have an issue there).


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