Skip to main content

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).


Comments

Popular posts from this blog

plotting - Filling between two spheres in SphericalPlot3D

Manipulate[ SphericalPlot3D[{1, 2 - n}, {θ, 0, Pi}, {ϕ, 0, 1.5 Pi}, Mesh -> None, PlotPoints -> 15, PlotRange -> {-2.2, 2.2}], {n, 0, 1}] I cant' seem to be able to make a filling between two spheres. I've already tried the obvious Filling -> {1 -> {2}} but Mathematica doesn't seem to like that option. Is there any easy way around this or ... Answer There is no built-in filling in SphericalPlot3D . One option is to use ParametricPlot3D to draw the surfaces between the two shells: Manipulate[ Show[SphericalPlot3D[{1, 2 - n}, {θ, 0, Pi}, {ϕ, 0, 1.5 Pi}, PlotPoints -> 15, PlotRange -> {-2.2, 2.2}], ParametricPlot3D[{ r {Sin[t] Cos[1.5 Pi], Sin[t] Sin[1.5 Pi], Cos[t]}, r {Sin[t] Cos[0 Pi], Sin[t] Sin[0 Pi], Cos[t]}}, {r, 1, 2 - n}, {t, 0, Pi}, PlotStyle -> Yellow, Mesh -> {2, 15}]], {n, 0, 1}]

plotting - Plot 4D data with color as 4th dimension

I have a list of 4D data (x position, y position, amplitude, wavelength). I want to plot x, y, and amplitude on a 3D plot and have the color of the points correspond to the wavelength. I have seen many examples using functions to define color but my wavelength cannot be expressed by an analytic function. Is there a simple way to do this? Answer Here a another possible way to visualize 4D data: data = Flatten[Table[{x, y, x^2 + y^2, Sin[x - y]}, {x, -Pi, Pi,Pi/10}, {y,-Pi,Pi, Pi/10}], 1]; You can use the function Point along with VertexColors . Now the points are places using the first three elements and the color is determined by the fourth. In this case I used Hue, but you can use whatever you prefer. Graphics3D[ Point[data[[All, 1 ;; 3]], VertexColors -> Hue /@ data[[All, 4]]], Axes -> True, BoxRatios -> {1, 1, 1/GoldenRatio}]

plotting - Mathematica: 3D plot based on combined 2D graphs

I have several sigmoidal fits to 3 different datasets, with mean fit predictions plus the 95% confidence limits (not symmetrical around the mean) and the actual data. I would now like to show these different 2D plots projected in 3D as in but then using proper perspective. In the link here they give some solutions to combine the plots using isometric perspective, but I would like to use proper 3 point perspective. Any thoughts? Also any way to show the mean points per time point for each series plus or minus the standard error on the mean would be cool too, either using points+vertical bars, or using spheres plus tubes. Below are some test data and the fit function I am using. Note that I am working on a logit(proportion) scale and that the final vertical scale is Log10(percentage). (* some test data *) data = Table[Null, {i, 4}]; data[[1]] = {{1, -5.8}, {2, -5.4}, {3, -0.8}, {4, -0.2}, {5, 4.6}, {1, -6.4}, {2, -5.6}, {3, -0.7}, {4, 0.04}, {5, 1.0}, {1, -6.8}, {2, -4.7}, {3, -1.