diff --git a/ho_basis.jl b/ho_basis.jl index d6c9a8c..63a0d3a 100644 --- a/ho_basis.jl +++ b/ho_basis.jl @@ -5,9 +5,10 @@ include("helper.jl") include("math.jl") function V_numerical(V_of_r, l, n1, n2; μω_gen=1.0, atol=0, maxevals=10^7) - integrand(r) = sqrt(μω_gen) * ho_basis(l, n1, sqrt(μω_gen) * r) * ho_basis(l, n2, sqrt(μω_gen) * r) * V_of_r(r) + const_part = sqrt(μω_gen) * ho_basis_const(l, n1) * ho_basis_const(l, n2) + integrand(r) = ho_basis_func(l, n1, sqrt(μω_gen) * r) * ho_basis_func(l, n2, sqrt(μω_gen) * r) * V_of_r(r) (integral, _) = quadgk(integrand, 0, Inf; atol=atol, maxevals=maxevals) - return integral + return const_part * integral end function get_sp_basis(E_max) diff --git a/math.jl b/math.jl index 03b1869..d407979 100644 --- a/math.jl +++ b/math.jl @@ -12,13 +12,15 @@ V_Gaussian(R, l, n1, n2; μω_gen=1.0) = (-1)^(n1 + n2) * better_sum([N_lnk(l, n sqrt_double_factorial(n) = Iterators.prod(sqrt.(n:-2:1)) sqrt_sqrt_pi = sqrt(sqrt(pi)) laguerre(l, n, x) = gamma(n + l + 3/2) * better_sum([(-x * x)^k / gamma(k + l + 3/2) * inv_factorial(n - k) * inv_factorial(k) for k in 0:n]) -ho_basis(l, n, x) = (-1)^n / sqrt_sqrt_pi * 2^((n + l + 2) / 2) * sqrt_factorial(n) / sqrt_double_factorial(2*n + 2*l + 1) * x^(l + 1) * exp(-x^2 / 2) * laguerre(l, n, x) +ho_basis_const(l, n) = (-1)^n / sqrt_sqrt_pi * (2.0)^((n + l + 2) / 2) * sqrt_factorial(n) / sqrt_double_factorial(2*n + 2*l + 1) +ho_basis_func(l, n, x) = x^(l + 1) * exp(-x^2 / 2) * laguerre(l, n, x) +ho_basis(l, n, x) = ho_basis_const(l, n) * ho_basis_func(l, n, x) # for implementation of simple relative coordinates double_factorial(n::Int) = Iterators.prod(big, n:-2:1) "Gaussian integral for n ∈ Integers (Ref: Wolfram MathWorld + simplifications)" -gauss_int(a, n) = double_factorial(n - 1) / (2 * a)^((n + 1)/2) * (iseven(n) ? sqrt(π / 2) : 1) +gauss_int(a, n) = double_factorial(n - 1) / (2.0 * a)^((n + 1)/2) * (iseven(n) ? sqrt(π / 2) : 1) "Gives ∫dp p u' u where u' and u' may have different l (Ref: worked out in Mathematica)" function integral(np, lp, n, l, μω)