diff --git a/calculations/3body_Berggren_B2R_EC.jl b/calculations/3body_Berggren_B2R_EC.jl new file mode 100644 index 0000000..05f6641 --- /dev/null +++ b/calculations/3body_Berggren_B2R_EC.jl @@ -0,0 +1,126 @@ +using Arpack, SparseArrays, LRUCache +using DelimitedFiles, Plots +include("../ho_basis.jl") +include("../p_space.jl") +include("../berggren.jl") + +println("No of threads = ", Threads.nthreads()) + +atol = 10^-5 +maxevals = 10^5 + +Λ = 0 +m = 1.0 +Va_of_r(r) = 2 * exp(-(r-3)^2 / (1.5)^2) +Vb_of_r(r) = -exp(-(r/3)^2) + +# due to Jacobi coordinates +μ1 = m * 1/2 +μ2 = m * 2/3 + +vertices = [0, 2 - 0.1im, 3, 4] +subdivisions = [10, 10, 10] +ks, ws = get_mesh(vertices, subdivisions) + +jmax = 4 +tri((j1, j2)) = triangle_ineq(j1, j2, Λ) +js = collect(Iterators.filter(tri, iter_prod(0:jmax, 0:jmax))) + +basis = iter_prod(js, zip(ks, ws), zip(ks, ws)) # basis = ((j1, j2), (k1, w1), (k2, w2)) +basis_size = length(js) * length(ks)^2 +@assert length(basis) == basis_size "Something wrong with the basis" +println("Basis size = $basis_size") + +@time "T" begin + T_blocks = [kron_sum(get_T_matrix(ks, μ1), get_T_matrix(ks, μ2)) for _ in js] + T = blockdiag(sparse.(T_blocks)...) +end + +@time "Va1" begin + Va_l(j, k, kp) = Vl_mat_elem(Va_of_r, j, k, kp; atol=atol, maxevals=maxevals, R_cutoff=16) + Va1_blocks = [kron(get_V_matrix((k, kp) -> Va_l(j1, k, kp), ks, ws), I(length(ks))) for (j1, _) in js] + Va1 = blockdiag(sparse.(Va1_blocks)...) +end + +@time "Vb1" begin + Vb_l(j, k, kp) = Vl_mat_elem(Vb_of_r, j, k, kp; atol=atol, maxevals=maxevals, R_cutoff=16) + Vb1_blocks = [kron(get_V_matrix((k, kp) -> Vb_l(j1, k, kp), ks, ws), I(length(ks))) for (j1, _) in js] + Vb1 = blockdiag(sparse.(Vb1_blocks)...) +end + +E_max = 40 +μω_global = 0.5 +μ1ω1 = μω_global * 1/2 +μ2ω2 = μω_global * 2 + +@time "Va2_HO" Va2_HO = get_jacobi_V2_matrix(Va_of_r, E_max, Λ, μω_global; atol=atol, maxevals=maxevals) +@time "Vb2_HO" Vb2_HO = get_jacobi_V2_matrix(Vb_of_r, E_max, Λ, μω_global; atol=atol, maxevals=maxevals) + +@time "W_right" W_right = get_W_matrix(basis, E_max, Λ, μ1ω1, μ2ω2; weights=true) +@time "W_left" W_left = get_W_matrix(basis, E_max, Λ, μ1ω1, μ2ω2; weights=false) + +@time "Va2" Va2 = W_left * Va2_HO * transpose(W_right) +@time "Vb2" Vb2 = W_left * Vb2_HO * transpose(W_right) + +@time "Ha" Ha = T + Va1 + Va2 +@time "Vb" Vb = Vb1 + Vb2 +@time "Eigenvalues" target_evals, _ = eigs(Ha, nev=3, ncv=24, which=:LI, maxiter=5000, tol=1e-5, ritzvec=false, check=1) + +display(target_evals) + +# free memory +Es = n1s = l1s = n2s = l2s = mask1 = mask2 = T1 = T2 = V1_cache = V_relative_cache = V1 = V_relative = U = V2 = nothing +GC.gc() + +current_E = -0.72763 + +training_c = [2.0, 1.9, 1.8] +extrapolating_c = 0.0 : 0.2 : 1.2 + +exact = ComplexF64[] +training = ComplexF64[] +extrapolated = ComplexF64[] +training_vecs = Vector{ComplexF64}[] + +for c in training_c + println("Training for c = $c") + H = Ha + c .* Vb + evals, evecs = eigs(H, nev=3, ncv=24, which=:LI, maxiter=5000, tol=1e-5, ritzvec=true, check=1) + + global current_E = nearest(evals, current_E) + push!(training, current_E) + push!(training_vecs, evecs[:, nearestIndex(evals, current_E)]) +end + +# CA-EC +training_vecs = vcat(training_vecs, conj(training_vecs)) + +EC_basis = hcat(training_vecs...) +N_EC = transpose(EC_basis) * EC_basis +Ha_EC = transpose(EC_basis) * Ha * EC_basis +Vb_EC = transpose(EC_basis) * Vb * EC_basis + +current_E = 4.0766890719636635 - 0.01275892774109674im + +for c in extrapolating_c + println("Extrapolating for c = $c") + H = Ha + c .* Vb + evals, evecs = eigs(H, nev=3, ncv=24, which=:LI, maxiter=5000, tol=1e-5, ritzvec=true, check=1) + + global current_E = nearest(evals, current_E) + push!(exact, current_E) + + # extrapolation + H_EC = Ha_EC + c .* Vb_EC + evals = eigvals(H_EC, N_EC) + push!(extrapolated, nearest(evals, current_E)) +end + +open("temp/Berggren_B2R.training.csv", "w") do f; writedlm(f, hcat(reim(training)...)); end +open("temp/Berggren_B2R.exact.csv", "w") do f; writedlm(f, hcat(reim(exact)...)); end +open("temp/Berggren_B2R.extrapolated.csv", "w") do f; writedlm(f, hcat(reim(extrapolated)...)); end + +scatter(real.(training),imag.(training), label="training") +scatter!(real.(exact),imag.(exact), label="exact") +scatter!(real.(extrapolated),imag.(extrapolated), label="extrapolated") +savefig("temp/Berggren_B2R.pdf") \ No newline at end of file