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 R_cutoff = 16 training_c = [1.1, 0.9, 0.7, 0.5] extrapolating_c = 0.0 : 0.2 : 1.2 training_ref = reverse([1.4750633616275919 - 0.0003021770706749637im 1.9567078295375822 - 0.0007646829108872369im 2.4351117758403076 - 0.001281037843108658im 2.85]) exact_ref = reverse([4.076662025307587-0.012709842443350328im, 3.613318119833891-0.007335804709990623im, 3.1453431847006783-0.004030580410326795im, 2.672967129943755-0.00211498327461944im, 2.196542557810288-0.0010719835443437104im, 1.7164583929199813-0.0005455212208182736im, 1.233088227541505-0.0003070320106485624im]) 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 = [16, 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 weights_mat = spdiagm(repeat(kron(ws, ws), jmax + 1)) @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=R_cutoff) 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=R_cutoff) 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" test_evals, _ = eigs(Ha, sigma=exact_ref[end], maxiter=5000, tol=1e-5, ritzvec=false, check=1) display(test_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() exact = ComplexF64[] training = ComplexF64[] extrapolated = ComplexF64[] training_vecs = Vector{ComplexF64}[] for c in training_c println("Training for c = $c") global current_E = pop!(training_ref) H = Ha + c .* Vb evals, evecs = eigs(H, sigma=current_E, 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 EC_basis = hcat(training_vecs...) N_EC = transpose(EC_basis) * weights_mat * EC_basis Ha_EC = transpose(EC_basis) * weights_mat * Ha * EC_basis Vb_EC = transpose(EC_basis) * weights_mat * Vb * EC_basis for c in extrapolating_c println("Extrapolating for c = $c") global current_E = pop!(exact_ref) H = Ha + c .* Vb evals, _ = eigs(H, sigma=current_E, maxiter=5000, tol=1e-5, ritzvec=false, 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 scatter(real.(training),imag.(training), label="training") scatter!(real.(exact),imag.(exact), label="exact") scatter!(real.(extrapolated),imag.(extrapolated), label="extrapolated") savefig("temp/Berggren_R2R.pdf")