diff --git a/nucleons.jl b/nucleons.jl index 4b92e20..c70a9be 100644 --- a/nucleons.jl +++ b/nucleons.jl @@ -39,6 +39,18 @@ function optimized_dirac_potentials(p::Bool, s::system) return (f1, f2) end +"Approximate boundary condition for u(r)=[g(r), f(r)] at r -> ∞ where + κ is the generalized angular momentum, + p is true for proton and false for neutron, + E is the energy in MeV, + r is the radius in fm." +function asymp_BC(κ::Int, p::Bool, E::Float64, r::Float64) + M = p ? M_p : M_n + g = 1.0 + f = ħc / (E + M) * (-√(M^2 - E^2) + κ/r) * g + return [g, f] +end + "Solve the Dirac equation and return the wave function u(r)=[g(r), f(r)] where divs is the number of mesh divisions so solution would be returned as a 2×(1+divs) matrix, shooting method divides the interval into two partitions at r_max/2, ensuring convergence at both r=0 and r=r_max, @@ -48,7 +60,7 @@ function solveNucleonWf(κ, p::Bool, E, s::system; shooting=true, normalize=true if shooting @assert s.divs % 2 == 0 "divs must be an even number when shooting=true" - prob = ODEProblem(dirac!, [0, 1], (s.r_max, s.r_max / 2)) + prob = ODEProblem(dirac!, asymp_BC(κ, p, E, s.r_max), (s.r_max, s.r_max / 2)) sol = solve(prob, algo, p=(κ, E, f1, f2), saveat=Δr(s)) wf_right = reverse(hcat(sol.u...); dims=2) next_r_max = s.r_max / 2 # for the next step @@ -83,8 +95,8 @@ end function determinantFunc(κ, p::Bool, s::system, r::Float64=s.r_max/2, algo=Tsit5()) (f1, f2) = optimized_dirac_potentials(p, s) prob_left = ODEProblem(dirac!, [0.0, 1.0], (0, r)) - prob_right = ODEProblem(dirac!, [0.0, 1.0], (s.r_max, r)) function func(E) + prob_right = ODEProblem(dirac!, asymp_BC(κ, p, E, s.r_max), (s.r_max, r)) u_left = solve(prob_left, algo, p=(κ, E, f1, f2), saveat=[r]) u_right = solve(prob_right, algo, p=(κ, E, f1, f2), saveat=[r]) return u_left[1, 1] * u_right[2, 1] - u_right[1, 1] * u_left[2, 1]