🎉

Symbolics.jlでロドリゲスの公式を展開しよう

2022/12/17に公開

JuliaLang Advent Calendar 2022 17日目です🎄

Juliaの数式処理パッケージ Symbolics.jl を使って, 量子力学の教科書によく登場するRodriguesの公式を展開していきます. 下表の直交多項式はRodriguesの公式で定義されることが多いものの, 微分が入っていて扱いづらいため, 実装には漸化式や閉形式が用いられます. Rodriguesの公式は文献によって異なることがあり, どの定義に基づく実装なのか確かめるのはなかなか大変です. そこで, Symbolics.jlに頑張ってもらいましょう.

名前 Rodriguesの公式
エルミート多項式(Hermite)
H_{n}(x) = (-1)^n \mathrm{e}^{x^2} \frac{\mathrm{d}^n}{\mathrm{d}x^n} \mathrm{e}^{-x^2}
ルジャンドル多項式(Legendre)
P_n(x) = \frac{1}{2^n n!} \frac{\mathrm{d}^n}{\mathrm{d}x ^n} \left( x^2-1 \right)^n
ルジャンドル陪多項式(associated Legendre)
P_k^m(x) = \left( 1-x^2 \right)^{m/2} \frac{\mathrm{d}^m}{\mathrm{d}x^m} P_k(x)
ラゲール多項式(Laguerre)
L_n(x) = \frac{\mathrm{e}^x}{n!} \frac{\mathrm{d}^n}{\mathrm{d}x ^n} \left( \mathrm{e}^{-x} x^n \right)
ラゲール陪多項式(associated Laguerre)
L_n^{k}(x) = \frac{\mathrm{d}^k}{\mathrm{d}x^k} L_n(x)
一般化ラゲール多項式(generalized Laguerre)
L_n^{(\alpha)}(x)= \frac{x^{-\alpha}e^x}{n!} \frac{d^n}{dx^n}\left(x^{n+\alpha}e^{-x}\right)

※ 古い量子力学の教科書では, Laguerre多項式の定義に\frac{1}{n!}の因子を含まないL_n(x) = \mathrm{e}^x \frac{\mathrm{d}^n}{\mathrm{d}x ^n} \left( \mathrm{e}^{-x} x^n \right)が採用されることが多いように思われ, 当初はこの定義を採用するつもりでした. しかし, DLMFや, 一般化ラゲール多項式の定義との整合性を取るために\frac{1}{n!}の因子を加え, 上表の定義を採用することとしました.

パッケージ・環境

Symbolics.jlに加えて, 表示を整えるためにLatexify.jlLaTeXStrings.jlを用います.

入力
# using Pkg
# Pkg.add("Symbolics")
# Pkg.add("Latexify")
# Pkg.add("LaTeXStrings")
# Pkg.add("SpecialFunctions")
using Symbolics
using Latexify
using LaTeXStrings
using SpecialFunctions
versioninfo()
出力
Julia Version 1.8.3
Commit 0434deb161 (2022-11-14 20:14 UTC)
Platform Info:
  OS: Windows (x86_64-w64-mingw32)
  CPU: 8 × 11th Gen Intel(R) Core(TM) i7-1185G7 @ 3.00GHz
  WORD_SIZE: 64
  LIBM: libopenlibm
  LLVM: libLLVM-13.0.1 (ORCJIT, tigerlake)
  Threads: 1 on 8 virtual cores

Symbolics.jlの使い方

公式ドキュメントによれば, Differential()で微分演算子を定義して, expand_derivatives()で微分を展開できます. 例えば\exp(-x^2)の微分は下記のように計算できます.

@variables x
D = Differential(x)

a = exp(-x^2)
b = D(a)
c = expand_derivatives(b)

display(a)
display(b)
display(c)
e^{ - x^{2}}
\frac{\mathrm{d} e^{ - x^{2}}}{\mathrm{d}x}
- 2 x e^{ - x^{2}}

2階微分は次のように計算できます.

@variables x
D = Differential(x)^2

a = exp(-x^2)
b = D(a)
c = expand_derivatives(b)

display(a)
display(b)
display(c)
e^{ - x^{2}}
\frac{\mathrm{d}^{2} e^{ - x^{2}}}{\mathrm{d}x^{2}}
- 2 e^{ - x^{2}} + 4 x^{2} e^{ - x^{2}}

上記のように計算した導関数に\exp(x^2)を掛けて整理すればHermite多項式が計算できます. simplify()のデフォルトだとうまく簡略化できないので, expand=trueのオプションを追加しましょう. すると, 下記のようにn=2のHermite多項式が求められます.

@variables x
n = 2
D = Differential(x)^n               # n階の微分演算子
a = (-1)^n * exp(x^2)               # 微分演算子の左側
b = exp(-x^2)                       # 微分演算子の右側
c = a * D(b)                        # Rodriguesの公式
d = expand_derivatives(c)           # 微分演算を展開
e = simplify(d, expand=true)        # 簡略化

display(a)
display(b)
display(c)
display(d)
display(e)
e^{x^{2}}
e^{ - x^{2}}
e^{x^{2}} \frac{\mathrm{d}^{2} e^{ - x^{2}}}{\mathrm{d}x^{2}}
\left( - 2 e^{ - x^{2}} + 4 x^{2} e^{ - x^{2}} \right) e^{x^{2}}
-2 + 4 x^{2}

D = Differential(x)^0でエラーが出ますので, n=0つまり0階微分のときは恒等写像x->xになるようにするとn=0n>0で共通のコードが使えるためすっきります. 三項演算子を使うとさらにシンプルに書けます.

@variables x
n = 0
D = n==0 ? x->x : Differential(x)^n # n階の微分演算子
a = (-1)^n * exp(x^2)               # 微分演算子の左側
b = exp(-x^2)                       # 微分演算子の右側
c = a * D(b)                        # Rodriguesの公式
d = expand_derivatives(c)           # 微分演算を展開
e = simplify(d, expand=true)        # 簡略化

display(a)
display(b)
display(c)
display(d)
display(e)
e^{x^{2}}
e^{ - x^{2}}
e^{x^{2}} e^{ - x^{2}}
e^{x^{2}} e^{ - x^{2}}
1

なお, Int64だと階乗はfactorial(20)までしか使えないので, factorial(21)以降を使う予定の場合はfactorial(big(21))のようにBigIntを使う必要があります. 追加のパッケージ等は不要です.

julia> factorial(20)
2432902008176640000

julia> factorial(21)
OverflowError: 21 is too large to look up in the table; consider using `factorial(big(21))` instead
Stacktrace:...

エルミート多項式

Hermite多項式のRodriguesの公式(上段)を展開し, 閉形式(下段)と比較します. 閉形式については, いつも通りに関数を定義し, そこに@variables xで定義したSymbolics.jlの変数を渡せばSymbolics.jlのオブジェクトとして返ってきます. 展開した結果はDLMF 18.5.18等と見比べてください.

\begin{aligned} H_{n}(x) &= (-1)^n \mathrm{e}^{x^2} \frac{\mathrm{d}^n}{\mathrm{d}x^n} \mathrm{e}^{-x^2} \\ &= n! \sum_{m=0}^{\lfloor n/2 \rfloor} \frac{(-1)^m}{m! (n-2m)!}(2 x)^{n-2m} \end{aligned}
for n in 0:6
    # Rodriguesの公式の展開
    @variables x
    D = n==0 ? x->x : Differential(x)^n # n階の微分演算子 
    a = (-1)^n * exp(x^2)               # 微分演算子の左側
    b = exp(-x^2)                       # 微分演算子の右側
    c = a * D(b)                        # Rodriguesの公式
    d = expand_derivatives(c)           # 微分演算を展開
    e = simplify(d, expand=true)        # 簡略化
    # 閉形式
    H(x; n=0) = factorial(n) * sum(m -> (-1)^m // (factorial(m)  * factorial(n-2*m)) * (2*x)^(n-2*m), 0:Int(floor(n/2)))
    # LaTeX表示
    display(latexstring(
    """
    \\begin{aligned}
        H_{$n}(x)
         = $(latexify(c, env=:raw))
        &= $(latexify(e, env=:raw)) \\\\
        &= $(latexify(H(x, n=n), env=:raw))
    \\end{aligned}
    """))
end
\begin{aligned} H_{0}(x) = e^{x^{2}} e^{ - x^{2}} &= 1 \\ &= 1 \end{aligned}
\begin{aligned} H_{1}(x) = - e^{x^{2}} \frac{\mathrm{d} e^{ - x^{2}}}{\mathrm{d}x} &= 2 x \\ &= 2 x \end{aligned}
\begin{aligned} H_{2}(x) = e^{x^{2}} \frac{\mathrm{d}^{2} e^{ - x^{2}}}{\mathrm{d}x^{2}} &= -2 + 4 x^{2} \\ &= -2 + 4 x^{2} \end{aligned}
\begin{aligned} H_{3}(x) = - e^{x^{2}} \frac{\mathrm{d}^{3} e^{ - x^{2}}}{\mathrm{d}x^{3}} &= 8 x^{3} - 12 x \\ &= 8 x^{3} - 12 x \end{aligned}
\begin{aligned} H_{4}(x) = e^{x^{2}} \frac{\mathrm{d}^{4} e^{ - x^{2}}}{\mathrm{d}x^{4}} &= 12 - 48 x^{2} + 16 x^{4} \\ &= 12 - 48 x^{2} + 16 x^{4} \end{aligned}
\begin{aligned} H_{5}(x) = - e^{x^{2}} \frac{\mathrm{d}^{5} e^{ - x^{2}}}{\mathrm{d}x^{5}} &= 32 x^{5} + 120 x - 160 x^{3} \\ &= 32 x^{5} + 120 x - 160 x^{3} \end{aligned}
\begin{aligned} H_{6}(x) = e^{x^{2}} \frac{\mathrm{d}^{6} e^{ - x^{2}}}{\mathrm{d}x^{6}} &= -120 + 720 x^{2} + 64 x^{6} - 480 x^{4} \\ &= -120 + 720 x^{2} + 64 x^{6} - 480 x^{4} \end{aligned}

ちゃんと一致していますね! 多項式の順番が少し変ですが, 値は合っているので, 閉形式がRodriguesの公式による定義と一致することの確認としては問題ありません.

ルジャンドル多項式

Legendre多項式のRodriguesの公式を展開し, 閉形式と比較します. 閉形式については, Legendre陪多項式のm=0の場合を用います. 展開した結果はDLMF 18.5.16等と見比べてください.

\begin{aligned} P_n(x) &= \frac{1}{2^n n!} \frac{\mathrm{d}^n}{\mathrm{d}x ^n} \left(x^2-1 \right)^n \\ &= P_n^0(x) \end{aligned}
# using Symbolics
# using Latexify
# using LaTeXStrings

for n in 0:6
    # Rodriguesの公式の展開
    @variables x
    D = n==0 ? x->x : Differential(x)^n # n階の微分演算子
    a = 1 // (2^n * factorial(n))       # 微分演算子の左側
    b = (x^2 - 1)^n                     # 微分演算子の右側
    c = a * D(b)                        # Rodriguesの公式
    d = expand_derivatives(c)           # 微分演算を展開
    e = simplify(d, expand=true)        # 簡略化
    # 閉形式
    P(x; n=0, m=0) = (1//2)^n * (1-x^2)^(m//2) * sum(j -> (-1)^j * factorial(2*n-2*j) // (factorial(j) * factorial(n-j) * factorial(n-2*j-m)) * x^(n-2*j-m), 0:Int(floor((n-m)/2)))
    # LaTeX表示
    display(latexstring(
    """
    \\begin{aligned}
        P_{$(n)}(x)
        = $(latexify(c, env=:raw))
        &= $(latexify(e, env=:raw)) \\\\
        &= $(latexify(P(x, n=n), env=:raw))
    \\end{aligned}
    """))
end
\begin{aligned} P_{0}(x) = 1 &= 1 \\ &= 1 \end{aligned}
\begin{aligned} P_{1}(x) = \frac{1}{2} \frac{\mathrm{d}}{\mathrm{d}x} \left( -1 + x^{2} \right) &= x \\ &= x \end{aligned}
\begin{aligned} P_{2}(x) = \frac{1}{8} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \left( -1 + x^{2} \right)^{2} &= \frac{-1}{2} + \frac{3}{2} x^{2} \\ &= \frac{-1}{2} + \frac{3}{2} x^{2} \end{aligned}
\begin{aligned} P_{3}(x) = \frac{1}{48} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \left( -1 + x^{2} \right)^{3} &= - \frac{3}{2} x + \frac{5}{2} x^{3} \\ &= - \frac{3}{2} x + \frac{5}{2} x^{3} \end{aligned}
\begin{aligned} P_{4}(x) = \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= \frac{3}{8} - \frac{15}{4} x^{2} + \frac{35}{8} x^{4} \\ &= \frac{3}{8} - \frac{15}{4} x^{2} + \frac{35}{8} x^{4} \end{aligned}
\begin{aligned} P_{5}(x) = \frac{1}{3840} \frac{\mathrm{d}^{5}}{\mathrm{d}x^{5}} \left( -1 + x^{2} \right)^{5} &= \frac{15}{8} x + \frac{63}{8} x^{5} - \frac{35}{4} x^{3} \\ &= \frac{15}{8} x + \frac{63}{8} x^{5} - \frac{35}{4} x^{3} \end{aligned}
\begin{aligned} P_{6}(x) = \frac{1}{46080} \frac{\mathrm{d}^{6}}{\mathrm{d}x^{6}} \left( -1 + x^{2} \right)^{6} &= \frac{-5}{16} + \frac{105}{16} x^{2} + \frac{231}{16} x^{6} - \frac{315}{16} x^{4} \\ &= \frac{-5}{16} + \frac{105}{16} x^{2} + \frac{231}{16} x^{6} - \frac{315}{16} x^{4} \end{aligned}

ルジャンドル陪多項式

Legendre陪多項式のRodriguesの公式(上段)を展開し, 閉形式(下段)と比較します. 展開した結果はMcQuarrie&Simon(1997)等と見比べてください.

\begin{aligned} P_n^m(x) &= \left( 1-x^2 \right)^{m/2} \frac{\mathrm{d}^m}{\mathrm{d}x^m} P_n(x) \\ &= \frac{1}{2^n} (1-x^2)^{m/2} \sum_{j=0}^{\left\lfloor\frac{n-m}{2}\right\rfloor} (-1)^j \frac{(2n-2j)!}{j! (n-j)! (n-2j-m)!} x^{(n-2j-m)} \end{aligned}
# using Symbolics
# using Latexify
# using LaTeXStrings

for n in 0:4
    for m in 0:n
        # Rodriguesの公式の展開
        @variables x
        Dn = n==0 ? x->x : Differential(x)^n # n階の微分演算子
        Dm = m==0 ? x->x : Differential(x)^m # m階の微分演算子
        a = 1 // (2^n * factorial(n))         # 微分演算子の左側
        b = (x^2 - 1)^n                       # 微分演算子の右側
        c = (1 - x^2)^(m//2) * Dm(a * Dn(b)) # Rodriguesの公式
        d = expand_derivatives(c)             # 微分演算を展開
        e = simplify(d, expand=true)          # 簡略化
        # 閉形式
        P(x; n=0, m=0) = (1//2)^n * (1-x^2)^(m//2) * sum(j -> (-1)^j * factorial(2*n-2*j) // (factorial(j) * factorial(n-j) * factorial(n-2*j-m)) * x^(n-2*j-m), 0:Int(floor((n-m)/2)))
        # LaTeX表示
        display(latexstring(
        """
        \\begin{aligned}
            P_{$n}^{$m}(x)
             = $(latexify(c, env=:raw))
            &= $(latexify(e, env=:raw)) \\\\
            &= $(latexify(simplify(P(x, n=n, m=m), expand=true), env=:raw))
        \\end{aligned}
        """))
    end
end
\begin{aligned} P_{0}^{0}(x) = 1 &= 1 \\ &= 1 \end{aligned}
\begin{aligned} P_{1}^{0}(x) = \frac{1}{2} \frac{\mathrm{d}}{\mathrm{d}x} \left( -1 + x^{2} \right) &= x \\ &= x \end{aligned}
\begin{aligned} P_{1}^{1}(x) = \left( 1 - x^{2} \right)^{\frac{1}{2}} \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{2} \frac{\mathrm{d}}{\mathrm{d}x} \left( -1 + x^{2} \right) &= \left( 1 - x^{2} \right)^{\frac{1}{2}} \\ &= \left( 1 - x^{2} \right)^{\frac{1}{2}} \end{aligned}
\begin{aligned} P_{2}^{0}(x) = \frac{1}{8} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \left( -1 + x^{2} \right)^{2} &= \frac{-1}{2} + \frac{3}{2} x^{2} \\ &= \frac{-1}{2} + \frac{3}{2} x^{2} \end{aligned}
\begin{aligned} P_{2}^{1}(x) = \left( 1 - x^{2} \right)^{\frac{1}{2}} \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{8} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \left( -1 + x^{2} \right)^{2} &= 3 \left( 1 - x^{2} \right)^{\frac{1}{2}} x \\ &= 3 \left( 1 - x^{2} \right)^{\frac{1}{2}} x \end{aligned}
\begin{aligned} P_{2}^{2}(x) = \left( 1 - x^{2} \right) \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{8} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \left( -1 + x^{2} \right)^{2} &= 3 - 3 x^{2} \\ &= 3 - 3 x^{2} \end{aligned}
\begin{aligned} P_{3}^{0}(x) = \frac{1}{48} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \left( -1 + x^{2} \right)^{3} &= - \frac{3}{2} x + \frac{5}{2} x^{3} \\ &= - \frac{3}{2} x + \frac{5}{2} x^{3} \end{aligned}
\begin{aligned} P_{3}^{1}(x) = \left( 1 - x^{2} \right)^{\frac{1}{2}} \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{48} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \left( -1 + x^{2} \right)^{3} &= - \frac{3}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} + \frac{15}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x^{2} \\ &= - \frac{3}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} + \frac{15}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x^{2} \end{aligned}
\begin{aligned} P_{3}^{2}(x) = \left( 1 - x^{2} \right) \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{48} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \left( -1 + x^{2} \right)^{3} &= 15 x - 15 x^{3} \\ &= 15 x - 15 x^{3} \end{aligned}
\begin{aligned} P_{3}^{3}(x) = \left( 1 - x^{2} \right)^{\frac{3}{2}} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \frac{1}{48} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \left( -1 + x^{2} \right)^{3} &= 15 \left( 1 - x^{2} \right)^{\frac{3}{2}} \\ &= 15 \left( 1 - x^{2} \right)^{\frac{3}{2}} \end{aligned}
\begin{aligned} P_{4}^{0}(x) = \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= \frac{3}{8} - \frac{15}{4} x^{2} + \frac{35}{8} x^{4} \\ &= \frac{3}{8} - \frac{15}{4} x^{2} + \frac{35}{8} x^{4} \end{aligned}
\begin{aligned} P_{4}^{1}(x) = \left( 1 - x^{2} \right)^{\frac{1}{2}} \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= - \frac{15}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x + \frac{35}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x^{3} \\ &= - \frac{15}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x + \frac{35}{2} \left( 1 - x^{2} \right)^{\frac{1}{2}} x^{3} \end{aligned}
\begin{aligned} P_{4}^{2}(x) = \left( 1 - x^{2} \right) \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= \frac{-15}{2} + 60 x^{2} - \frac{105}{2} x^{4} \\ &= \frac{-15}{2} + 60 x^{2} - \frac{105}{2} x^{4} \end{aligned}
\begin{aligned} P_{4}^{3}(x) = \left( 1 - x^{2} \right)^{\frac{3}{2}} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= 105 \left( 1 - x^{2} \right)^{\frac{3}{2}} x \\ &= 105 \left( 1 - x^{2} \right)^{\frac{3}{2}} x \end{aligned}
\begin{aligned} P_{4}^{4}(x) = \left( 1 - x^{2} \right)^{2} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \frac{1}{384} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \left( -1 + x^{2} \right)^{4} &= 105 \left( 1 - x^{2} \right)^{2} \\ &= 105 \left( 1 - x^{2} \right)^{2} \end{aligned}

ラゲール多項式

Laguerre多項式のRodriguesの公式を展開し, 閉形式と比較します. 閉形式についてはLaguerre陪多項式のk=0および一般化Laguerre多項式の\alpha=0の場合を用います. 展開した結果はDLMF等と見比べてください.

\begin{aligned} L_n(x) &= \frac{\mathrm{e}^x}{n!} \frac{\mathrm{d}^n}{\mathrm{d}x ^n} \left( \mathrm{e}^{-x} x^n \right) \\ &= L_n^{0}(x) \\ &= L_n^{(0)}(x) \end{aligned}
# using Symbolics
# using Latexify
# using LaTeXStrings

for n in 0:6
    # Rodriguesの公式の展開
    @variables x
    D = n==0 ? x->x : Differential(x)^n # n階の微分演算子
    a = exp(x) / factorial(n)           # 微分演算子の左側
    b = exp(-x) * x^n                   # 微分演算子の右側
    c = a * D(b)                        # Rodriguesの公式
    d = expand_derivatives(c)           # 微分演算を展開
    e = simplify(d, expand=true)        # 簡略化
    # 閉形式
    AL(x; n=0, k=0)  = sum(m -> (-1)^(m+k) * factorial(n) // (factorial(m) * factorial(m+k) * factorial(n-m-k)) * x^m, 0:n-k)
    GL(x; n=0, α=0) = sum(k -> (-1)^(k) * binomial(n+α,n-k) * x^k // factorial(k), 0:n)
    # LaTeX表示
    display(latexstring(
    """
    \\begin{aligned}
        L_{$n}(x)
         = $(latexify(c, env=:raw))
        &= $(latexify(e, env=:raw)) \\\\
        &= $(latexify(AL(x, n=n, k=0), env=:raw)) \\\\
        &= $(latexify(GL(x, n=n, α=0), env=:raw))
    \\end{aligned}
    """))
end
\begin{aligned} L_{0}(x) = e^{x} e^{ - x} &= 1 \\ &= 1 \\ &= 1 \end{aligned}
\begin{aligned} L_{1}(x) = e^{x} \frac{\mathrm{d}}{\mathrm{d}x} x e^{ - x} &= 1 - x \\ &= 1 - x \\ &= 1 - x \end{aligned}
\begin{aligned} L_{2}(x) = \frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{2} e^{ - x} &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \end{aligned}
\begin{aligned} L_{3}(x) = \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \end{aligned}
\begin{aligned} L_{4}(x) = \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \end{aligned}
\begin{aligned} L_{5}(x) = \frac{1}{120} e^{x} \frac{\mathrm{d}^{5}}{\mathrm{d}x^{5}} x^{5} e^{ - x} &= 1 + \frac{5}{24} x^{4} - \frac{1}{120} x^{5} - \frac{5}{3} x^{3} - 5 x + 5 x^{2} \\ &= 1 + \frac{5}{24} x^{4} - \frac{1}{120} x^{5} - \frac{5}{3} x^{3} - 5 x + 5 x^{2} \\ &= 1 + \frac{5}{24} x^{4} - \frac{1}{120} x^{5} - \frac{5}{3} x^{3} - 5 x + 5 x^{2} \end{aligned}
\begin{aligned} L_{6}(x) = \frac{1}{720} e^{x} \frac{\mathrm{d}^{6}}{\mathrm{d}x^{6}} x^{6} e^{ - x} &= 1 + \frac{1}{720} x^{6} + \frac{5}{8} x^{4} - \frac{1}{20} x^{5} - \frac{10}{3} x^{3} - 6 x + \frac{15}{2} x^{2} \\ &= 1 + \frac{1}{720} x^{6} + \frac{5}{8} x^{4} - \frac{1}{20} x^{5} - \frac{10}{3} x^{3} - 6 x + \frac{15}{2} x^{2} \\ &= 1 + \frac{1}{720} x^{6} + \frac{5}{8} x^{4} - \frac{1}{20} x^{5} - \frac{10}{3} x^{3} - 6 x + \frac{15}{2} x^{2} \end{aligned}

ラゲール陪多項式

Laguerre陪多項式のRodriguesの公式(上段)を展開し, 閉形式(下段)と比較します. 閉形式については, いつも通りに関数を定義し, そこに@variables xで定義したSymbolics.jlの変数を渡せばSymbolics.jlのオブジェクトとして返ってきます. 展開した結果はWikipedia等と見比べてください.

\begin{aligned} L_n^{k}(x) &= \frac{\mathrm{d}^k}{\mathrm{d}x^k} L_n(x) \\ &= \sum_{m=0}^{n-k} (-1)^{m+k} \frac{n!}{m!(m+k)!(n-m-k)!} x^m \\ &= (-1)^k L_{n-k}^{(k)}(x) \end{aligned}
# using Symbolics
# using Latexify
# using LaTeXStrings

for n in 0:4
    for k in 0:n
        # Rodriguesの公式の展開
        @variables x
        Dn = n==0 ? x->x : Differential(x)^n # n階の微分演算子
        Dk = k==0 ? x->x : Differential(x)^k # k階の微分演算子
        a = exp(x) / factorial(n)             # 微分演算子の左側
        b = exp(-x) * x^n                     # 微分演算子の右側
        c = Dk(a * Dn(b))                     # Rodriguesの公式
        d = expand_derivatives(c)             # Rodriguesの公式の微分演算を展開
        e = simplify(d, expand=true)          # 簡略化
        # 閉形式
        AL(x; n=0, k=0)  = sum(m -> (-1)^(m+k) * factorial(n) // (factorial(m) * factorial(m+k) * factorial(n-m-k)) * x^m, 0:n-k)
        GL(x; n=0, α=0) = sum(k -> (-1)^(k) * binomial(n+α,n-k) * x^k // factorial(k), 0:n)
        # LaTeX表示
        display(latexstring(
        """
        \\begin{aligned}
            L_{$n}^{$k}(x)
             = $(latexify(c, env=:raw))
            &= $(latexify(e, env=:raw)) \\\\
            &= $(latexify(AL(x, n=n, k=k), env=:raw)) \\\\
            &= $(latexify((-1)^k * GL(x, n=n-k, α=k), env=:raw))            
        \\end{aligned}
        """))
    end
end
\begin{aligned} L_{0}^{0}(x) = e^{x} e^{ - x} &= 1 \\ &= 1 \\ &= 1 \end{aligned}
\begin{aligned} L_{1}^{0}(x) = e^{x} \frac{\mathrm{d}}{\mathrm{d}x} x e^{ - x} &= 1 - x \\ &= 1 - x \\ &= 1 - x \end{aligned}
\begin{aligned} L_{1}^{1}(x) = \frac{\mathrm{d}}{\mathrm{d}x} e^{x} \frac{\mathrm{d}}{\mathrm{d}x} x e^{ - x} &= -1 \\ &= -1 \\ &= -1 \end{aligned}
\begin{aligned} L_{2}^{0}(x) = \frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{2} e^{ - x} &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \end{aligned}
\begin{aligned} L_{2}^{1}(x) = \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{2} e^{ - x} &= -2 + x \\ &= -2 + x \\ &= -2 + x \end{aligned}
\begin{aligned} L_{2}^{2}(x) = \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{2} e^{ - x} &= 1 \\ &= 1 \\ &= 1 \end{aligned}
\begin{aligned} L_{3}^{0}(x) = \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \end{aligned}
\begin{aligned} L_{3}^{1}(x) = \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= -3 - \frac{1}{2} x^{2} + 3 x \\ &= -3 - \frac{1}{2} x^{2} + 3 x \\ &= -3 - \frac{1}{2} x^{2} + 3 x \end{aligned}
\begin{aligned} L_{3}^{2}(x) = \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= 3 - x \\ &= 3 - x \\ &= 3 - x \end{aligned}
\begin{aligned} L_{3}^{3}(x) = \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= -1 \\ &= -1 \\ &= -1 \end{aligned}
\begin{aligned} L_{4}^{0}(x) = \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \end{aligned}
\begin{aligned} L_{4}^{1}(x) = \frac{\mathrm{d}}{\mathrm{d}x} \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= -4 - 2 x^{2} + \frac{1}{6} x^{3} + 6 x \\ &= -4 - 2 x^{2} + \frac{1}{6} x^{3} + 6 x \\ &= -4 - 2 x^{2} + \frac{1}{6} x^{3} + 6 x \end{aligned}
\begin{aligned} L_{4}^{2}(x) = \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= 6 + \frac{1}{2} x^{2} - 4 x \\ &= 6 + \frac{1}{2} x^{2} - 4 x \\ &= 6 + \frac{1}{2} x^{2} - 4 x \end{aligned}
\begin{aligned} L_{4}^{3}(x) = \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= -4 + x \\ &= -4 + x \\ &= -4 + x \end{aligned}
\begin{aligned} L_{4}^{4}(x) = \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= 1 \\ &= 1 \\ &= 1 \end{aligned}

一般化ラゲール多項式

一般化Laguerre多項式のRodriguesの公式(上段)を展開し, 閉形式(下段)と比較します.

\begin{aligned} L_n^{(\alpha)}(x) &= \frac{x^{-\alpha}e^x}{n!} \frac{d^n}{dx^n}\left(x^{n+\alpha}e^{-x}\right) \\ &= \sum_{k=0}^n(-1)^k \left(\begin{array}{l} n+\alpha \\ n-k \end{array}\right) \frac{x^k}{k !} \\ &= \sum_{k=0}^n(-1)^k \frac{\Gamma(\alpha+n+1)}{\Gamma(\alpha+k+1)\Gamma(n-k+1)} \frac{x^k}{k !} \end{aligned}

二項係数\left(\begin{array}{l} a \\ b \end{array}\right)binomial(a,b)で計算できます. ただし, \alphaが整数の場合以外はbinomial(a,b)は計算できないので, \left(\begin{array}{l} a \\ b \end{array}\right) = \frac{a !}{b !(a-b) !} = \frac{\Gamma(a+1)}{\Gamma(b+1)\Gamma(a-b+1)} を利用し, 階乗表示を経由してガンマ関数から計算することにします.(そもそも, \alphaが整数なら陪関数との対応関係を使えば十分です. Morse振動子の波動関数では\alphaは非整数なので, 非整数に対応しておく必要があります.) なお, Laguerre多項式の定義によっては, 一般化Laguerre多項式はLaguerre多項式の一般化にならないことに注意してください. \alpha=0の場合はL_n^{(0)}(x) = \frac{e^x}{n!} \frac{d^n}{dx^n}\left(x^{n}e^{-x}\right)となり, Laguerre多項式の定義をL_n(x) = e^x \frac{d^n}{dx^n}\left(x^{n}e^{-x}\right)とした場合とは一致しません. このノートではLaguerre多項式をL_n(x) = \frac{e^x}{n!} \frac{d^n}{dx^n}\left(x^{n}e^{-x}\right)と定義したので, 一般化になっています.

# using Symbolics
# using Latexify
# using LaTeXStrings
# using SpecialFunctions

for n in 0:4
    for α in 0:n
        # Rodriguesの公式の展開
        @variables x
        D = n==0 ? x->x : Differential(x)^n # n階の微分演算子
        a = exp(x) * x^(-α) / factorial(n) # 微分演算子の左側
        b = exp(-x) * x^(n+α)              # 微分演算子の右側
        c = a * D(b)                        # Rodriguesの公式
        d = expand_derivatives(c)           # 微分演算を展開
        e = simplify(d, expand=true)        # 簡略化
        # 閉形式
        GL1(x; n=0, α=0) = sum(k -> (-1)^(k) * binomial(n+α,n-k) * x^k // factorial(k), 0:n)
        GL2(x; n=0, α=0) = sum(k -> (-1)^(k) * (Int(gamma(α+n+1)) // Int((gamma(α+1+k)*gamma(n-k+1)))) * x^k // factorial(k), 0:n) # 綺麗に表示されるように整数に変換している
        # GL2(x; n=0, α=0) = sum(k -> (-1)^(k) * (gamma(α+n+1) // (gamma(α+1+k)*gamma(n-k+1))) * x^k // factorial(k), 0:n)
        # LaTeX表示
        display(latexstring(
        """
        \\begin{aligned}
            L_{$n}^{($α)}(x)
             = $(latexify(c, env=:raw))
            &= $(latexify(e, env=:raw)) \\\\
            &= $(latexify(GL1(x, n=n, α=α), env=:raw)) \\\\
            &= $(latexify(GL2(x, n=n, α=α), env=:raw))
        \\end{aligned}
        """))
    end
end
\begin{aligned} L_{0}^{(0)}(x) = e^{x} e^{ - x} &= 1 \\ &= 1 \\ &= 1 \end{aligned}
\begin{aligned} L_{1}^{(0)}(x) = e^{x} \frac{\mathrm{d}}{\mathrm{d}x} x e^{ - x} &= 1 - x \\ &= 1 - x \\ &= 1 - x \end{aligned}
\begin{aligned} L_{1}^{(1)}(x) = \frac{e^{x} \frac{\mathrm{d}}{\mathrm{d}x} x^{2} e^{ - x}}{x} &= 2 - x \\ &= 2 - x \\ &= 2 - x \end{aligned}
\begin{aligned} L_{2}^{(0)}(x) = \frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{2} e^{ - x} &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \\ &= 1 + \frac{1}{2} x^{2} - 2 x \end{aligned}
\begin{aligned} L_{2}^{(1)}(x) = \frac{\frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{3} e^{ - x}}{x} &= 3 + \frac{1}{2} x^{2} - 3 x \\ &= 3 + \frac{1}{2} x^{2} - 3 x \\ &= 3 + \frac{1}{2} x^{2} - 3 x \end{aligned}
\begin{aligned} L_{2}^{(2)}(x) = \frac{\frac{1}{2} e^{x} \frac{\mathrm{d}^{2}}{\mathrm{d}x^{2}} x^{4} e^{ - x}}{x^{2}} &= 6 + \frac{1}{2} x^{2} - 4 x \\ &= 6 + \frac{1}{2} x^{2} - 4 x \\ &= 6 + \frac{1}{2} x^{2} - 4 x \end{aligned}
\begin{aligned} L_{3}^{(0)}(x) = \frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{3} e^{ - x} &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \\ &= 1 + \frac{3}{2} x^{2} - \frac{1}{6} x^{3} - 3 x \end{aligned}
\begin{aligned} L_{3}^{(1)}(x) = \frac{\frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{4} e^{ - x}}{x} &= 4 + 2 x^{2} - \frac{1}{6} x^{3} - 6 x \\ &= 4 + 2 x^{2} - \frac{1}{6} x^{3} - 6 x \\ &= 4 + 2 x^{2} - \frac{1}{6} x^{3} - 6 x \end{aligned}
\begin{aligned} L_{3}^{(2)}(x) = \frac{\frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{5} e^{ - x}}{x^{2}} &= 10 + \frac{5}{2} x^{2} - \frac{1}{6} x^{3} - 10 x \\ &= 10 + \frac{5}{2} x^{2} - \frac{1}{6} x^{3} - 10 x \\ &= 10 + \frac{5}{2} x^{2} - \frac{1}{6} x^{3} - 10 x \end{aligned}
\begin{aligned} L_{3}^{(3)}(x) = \frac{\frac{1}{6} e^{x} \frac{\mathrm{d}^{3}}{\mathrm{d}x^{3}} x^{6} e^{ - x}}{x^{3}} &= 20 + 3 x^{2} - \frac{1}{6} x^{3} - 15 x \\ &= 20 + 3 x^{2} - \frac{1}{6} x^{3} - 15 x \\ &= 20 + 3 x^{2} - \frac{1}{6} x^{3} - 15 x \end{aligned}
\begin{aligned} L_{4}^{(0)}(x) = \frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{4} e^{ - x} &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \\ &= 1 + 3 x^{2} + \frac{1}{24} x^{4} - \frac{2}{3} x^{3} - 4 x \end{aligned}
\begin{aligned} L_{4}^{(1)}(x) = \frac{\frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{5} e^{ - x}}{x} &= 5 + 5 x^{2} + \frac{1}{24} x^{4} - \frac{5}{6} x^{3} - 10 x \\ &= 5 + 5 x^{2} + \frac{1}{24} x^{4} - \frac{5}{6} x^{3} - 10 x \\ &= 5 + 5 x^{2} + \frac{1}{24} x^{4} - \frac{5}{6} x^{3} - 10 x \end{aligned}
\begin{aligned} L_{4}^{(2)}(x) = \frac{\frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{6} e^{ - x}}{x^{2}} &= 15 + \frac{15}{2} x^{2} + \frac{1}{24} x^{4} - x^{3} - 20 x \\ &= 15 + \frac{15}{2} x^{2} + \frac{1}{24} x^{4} - x^{3} - 20 x \\ &= 15 + \frac{15}{2} x^{2} + \frac{1}{24} x^{4} - x^{3} - 20 x \end{aligned}
\begin{aligned} L_{4}^{(3)}(x) = \frac{\frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{7} e^{ - x}}{x^{3}} &= 35 + \frac{21}{2} x^{2} + \frac{1}{24} x^{4} - \frac{7}{6} x^{3} - 35 x \\ &= 35 + \frac{21}{2} x^{2} + \frac{1}{24} x^{4} - \frac{7}{6} x^{3} - 35 x \\ &= 35 + \frac{21}{2} x^{2} + \frac{1}{24} x^{4} - \frac{7}{6} x^{3} - 35 x \end{aligned}
\begin{aligned} L_{4}^{(4)}(x) = \frac{\frac{1}{24} e^{x} \frac{\mathrm{d}^{4}}{\mathrm{d}x^{4}} x^{8} e^{ - x}}{x^{4}} &= 70 + 14 x^{2} + \frac{1}{24} x^{4} - \frac{4}{3} x^{3} - 56 x \\ &= 70 + 14 x^{2} + \frac{1}{24} x^{4} - \frac{4}{3} x^{3} - 56 x \\ &= 70 + 14 x^{2} + \frac{1}{24} x^{4} - \frac{4}{3} x^{3} - 56 x \end{aligned}

まとめ

おかげで各種の閉形式についてRodriguesの公式との整合性が簡単に確認できるようになりました. Symbolics.jlはまだ発展途中のパッケージですが, かなり活躍してくれましたね. 自分でルールを追加して機能を拡張できるようなので, これから比較にならないほど発展すると思われます. 現状のシステムに強いて注文を付けるとすれば, 多項式の各項を次数の順番でソートできると良いですね. Issueに上がっているので, 対応されるものと思われます.

参考文献

https://symbolics.juliasymbolics.org/dev/manual/derivatives/

文献
H_{n}(x)
P_n(x)
P_k^m(x)
L_n(x)
L_n^{k}(x)
L_n^{(\alpha)}(x)
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https://gist.github.com/ohno/287799f1f591fb3e6541c7ecee69cd03

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