using SparseArrays using QuadGK using LRUCache 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) (integral, _) = quadgk(integrand, 0, Inf; atol=atol, maxevals=maxevals) return integral end function get_sp_basis(E_max) Es = Int[] ns = Int[] ls = Int[] # E = 2*n + l for E in 0 : E_max for n in 0 : E ÷ 2 l = E - 2*n push!(Es, E) push!(ns, n) push!(ls, l) end end return (Es, ns, ls) end function get_2p_basis(E_max, Λ=-1) Es = Int[] n1s = Int[] l1s = Int[] n2s = Int[] l2s = Int[] # E = 2*n1 + l1 + 2*n2 + l2 for E in E_max : -2 : 0 # same parity states only for n1 in 0 : E ÷ 2 for n2 in 0 : (E - 2*n1) ÷ 2 for l1 in 0 : (E - 2*n1 - 2*n2) l2 = E - 2*n1 - 2*n2 - l1 if Λ≥0 && !triangle_ineq(l1, l2, Λ); continue; end push!(Es, E) push!(n1s, n1) push!(l1s, l1) push!(n2s, n2) push!(l2s, l2) end end end end return (Es, n1s, l1s, n2s, l2s) end function get_sp_T_matrix(ns, ls; mask=trues(length(ns),length(ns)), μω_gen=1.0, μ=1.0) mat = spzeros(length(ns), length(ns)) for idx in CartesianIndices(mat) if !mask[idx]; continue; end (i, j) = Tuple(idx) if ls[i] == ls[j] if ns[i] == ns[j] mat[idx] = ns[j] + ls[i]/2 + 3/4 elseif abs(ns[i]-ns[j]) == 1 n_max = max(ns[i], ns[j]) mat[idx] = -(1/2) * sqrt(n_max * (n_max + ls[i] + 1/2)) end end end return (μω_gen / μ) .* mat end function get_sp_V_matrix(V_l, ns, ls; mask=trues(length(ns),length(ns)), dtype=Float64, cache=LRU{Tuple{UInt8, UInt8, UInt8}, dtype}(maxsize=(1+maximum(ns))^2)) mat = zeros(dtype, length(ns), length(ns)) Threads.@threads for idx in CartesianIndices(mat) if !mask[idx]; continue; end (i, j) = Tuple(idx) if ls[i] == ls[j] l = UInt8(ls[i]) n1, n2 = UInt8.(minmax(ns[i], ns[j])) # assuming transpose symmetry mat[idx] = (get!(cache, (l, n1, n2)) do; V_l(l, n1, n2); end) end end return sparse(mat) end function Moshinsky_transform(Es, n1s, l1s, n2s, l2s, Λ) NQMAX = maximum(Es) @assert all(mod.(Es, 2) .== mod(NQMAX, 2)) "Can only admit basis states with same parity" LMIN = Λ LMAX = Λ CO = 1/sqrt(2) SI = 1/sqrt(2) # dimensions BRAC(0:LMAX,0:(NQMAX-LMIN)/2,0:(NQMAX-LMIN)/2,0:(NQMAX-LMIN)/2,0:(NQMAX-LMIN)/2,0:LMAX,0:(NQMAX-LMIN)/2,LMIN:LMAX) BRAC = zeros(Float64, 1 + LMAX, 1 + (NQMAX - LMIN) ÷ 2, 1 + (NQMAX - LMIN) ÷ 2, 1 + (NQMAX - LMIN) ÷ 2, 1 + (NQMAX - LMIN) ÷ 2, 1 + LMAX, 1 + (NQMAX-LMIN) ÷ 2, 1 + LMAX-LMIN) @ccall "../OSBRACKETS/allosbrac.so".allosbrac_(NQMAX::Ref{Int32},LMIN::Ref{Int32},LMAX::Ref{Int32},CO::Ref{Float64},SI::Ref{Float64},BRAC::Ptr{Array{Float64}})::Cvoid mat = zeros(length(Es), length(Es)) s = hcat(Es, n1s, l1s, n2s, l2s) Threads.@threads for idx in CartesianIndices(mat) (i, j) = Tuple(idx) (Elhs, N, L, n, l) = s[i, :] (Erhs, n1, l1, n2, l2) = s[j, :] if Elhs == Erhs && triangle_ineq(L, l, Λ) && triangle_ineq(l1, l2, Λ) mat[i, j] = (-1)^(n1 + n2 + N + n) * pick_Moshinsky_bracket(BRAC, n1, l1, n2, l2, N, L, n, l, Λ) end end return sparse(mat) end function pick_Moshinsky_bracket(BRAC, n1′, l1′, n2′, l2′, n1, l1, n2, l2, Λ) # Efros notation -- don't confuse ϵ = (l1 + l2 - Λ) % 2 NP = (l1′ - l2′ + Λ - ϵ) ÷ 2 MP = (l1′ + l2′ - Λ - ϵ) ÷ 2 N = (l1 - l2 + Λ - ϵ) ÷ 2 M = (l1 + l2 - Λ - ϵ) ÷ 2 # BRAC(NP,N1P,MP,N1,N2,N,M,L) return BRAC[1 + NP, 1 + n1′, 1 + MP, 1 + n1, 1 + n2, 1 + N, 1 + M, 1] end function get_jacobi_V_matrix(V_of_r, E_max, Λ, μ1ω1, μω_global; atol=10^-6, maxevals=10^5) _, n1s, l1s, n2s, l2s = get_2p_basis(E_max, Λ) l_max = max(maximum(l1s), maximum(l2s)) n_max = max(maximum(n1s), maximum(n2s)) mask1 = (n2s .== n2s') .&& (l2s .== l2s') V1_elem(l, n1, n2) = V_numerical(V_of_r, l, n1, n2; μω_gen=μ1ω1, atol=atol, maxevals=maxevals) V1_cache = LRU{Tuple{UInt8, UInt8, UInt8}, ComplexF64}(maxsize=(1+l_max)*(1+n_max)^2) V1 = get_sp_V_matrix(V1_elem, n1s, l1s; mask=mask1, dtype=ComplexF64, cache=V1_cache) V2 = get_jacobi_V2_matrix(V_of_r, E_max, Λ, μω_global; atol=atol, maxevals=maxevals) return V1 + V2 end function get_jacobi_V2_matrix(V_of_r, E_max, Λ, μω_global; atol=10^-6, maxevals=10^5) Es, n1s, l1s, n2s, l2s = get_2p_basis(E_max, Λ) l_max = max(maximum(l1s), maximum(l2s)) n_max = max(maximum(n1s), maximum(n2s)) mask1 = (n2s .== n2s') .&& (l2s .== l2s') mask2 = (n1s .== n1s') .&& (l1s .== l1s') V_relative_elem(l, n1, n2) = V_numerical(V_of_r, l, n1, n2; μω_gen=μω_global, atol=atol, maxevals=maxevals) V_relative_cache = LRU{Tuple{UInt8, UInt8, UInt8}, ComplexF64}(maxsize=(1+l_max)*(1+n_max)^2) V_relative = get_sp_V_matrix(V_relative_elem, n1s, l1s; mask=mask1, dtype=ComplexF64, cache=V_relative_cache) + get_sp_V_matrix(V_relative_elem, n2s, l2s; mask=mask2, dtype=ComplexF64, cache=V_relative_cache) U = Moshinsky_transform(Es, n1s, l1s, n2s, l2s, Λ) V2 = U' * V_relative * U return V2 end