52 lines
1.6 KiB
Julia
52 lines
1.6 KiB
Julia
include("../ho_basis.jl")
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include("../EC.jl")
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Λ = 0
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m = 1.0
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# Distinguishable particles: V12 = bound and V13 & V23 = resonant
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Va_of_r(r) = -2 * exp(-r^2/4)
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Vb_of_r(r) = -exp(-r^2 / 3) + exp(-r^2 / 10)
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E_max = 40
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μω_global = 0.4 * exp(-2im * pi / 9)
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# due to Jacobi coordinates
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μ1ω1 = μω_global * 1/2
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μ2ω2 = μω_global * 2
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μ1 = m * 1/2
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μ2 = m * 2/3
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println("No of threads = ", Threads.nthreads())
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basis = ho_basis_2B(E_max, Λ)
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println("Basis size = ", basis.dim)
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@time "T1" T1 = get_sp_T_matrix(basis.n1s, basis.l1s, [basis.n2s, basis.l2s]; μω_gen=μ1ω1, μ=μ1)
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@time "T2" T2 = get_sp_T_matrix(basis.n2s, basis.l2s, [basis.n1s, basis.l1s]; μω_gen=μ2ω2, μ=μ2)
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@time "Va" Va = get_jacobi_V1_matrix(Va_of_r, basis, μ1ω1)
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@time "Vb" Vb = get_jacobi_V2_matrix(Vb_of_r, basis, μω_global)
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@time "Ha" Ha = T1 + T2 + Va
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@time "Eigenvalues" target_evals, _ = eigs(Ha, nev=5, ncv=50, which=:SR, maxiter=5000, tol=1e-5, ritzvec=false, check=1)
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display(target_evals)
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training_c = [-0.55, -0.7, -0.85, -1, -1.2]
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extrapolating_c = [0.2, 0.1, 0.0, -0.1, -0.2, -0.3]
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ref_E = -0.5173809356244544
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exact_ref = [-0.3136074661528041-0.07689284936868852im
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-0.323337240387771-0.06011323914564878im
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-0.33961558207479553-0.04239442037174764im
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-0.3633381653424224-0.026487218259589693im
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-0.393766505613234-0.014382935339825854im
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-0.42994798255352606-0.006510710745131777im]
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EC = affine_EC(Ha, Vb)
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train!(EC, training_c; ref_eval=ref_E, CAEC=true) # try CAEC=false !!!
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extrapolate!(EC, extrapolating_c, precalculated_exact_E = exact_ref)
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exportCSV(EC, "temp/dis_HO_B2R.csv")
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plot(EC, "temp/dis_HO_B2R.pdf") |