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BergEC-jl
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HO systems fully refactored

This commit is contained in:
Nuwan Yapa 2025-01-15 12:58:04 -05:00
parent 7a326bda96
commit 90026db221
4 changed files with 47 additions and 33 deletions
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21
calculations/3body_HO_B2R_EC.jl
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@ -1,18 +1,25 @@
include("../ho_basis.jl")
include("../EC.jl")
V_of_r(r) = 2 * exp(-(r-3)^2 / (1.5)^2)
Λ = 0
m = 1.0
μω_global = 0.5 * exp(-2im * pi / 9)
E_max = 30
H0 = get_3b_H_matrix(src, V_of_r, μω_global, E_max, Λ, m, true, true)
# Vp = perturbation to make the state artificially bound
Vp_of_r(r) = -exp(-(r/3)^2)
@time "Vp" Vp = get_3b_H_matrix(src, Vp_of_r, μω_global, E_max, Λ, m, false, true)
training_ref = -0.72763
extrapolating_ref = 4.0766890719636635 - 0.01275892774109674im
training_c = [2.0, 1.9, 1.8]
extrapolating_c = 0.0 : 0.2 : 1.2
include("../ho_basis_3body_resonance.jl")
H0 = H
# Vp = perturbation to make the state artificially bound
Vp_of_r(r) = -exp(-(r/3)^2)
@time "Vp" Vp = get_src_V_matrix(Vp_of_r, basis, μω, μω_global)
EC = affine_EC(H0, Vp)
train!(EC, training_c; ref_eval=training_ref, CAEC=true)
extrapolate!(EC, extrapolating_c; ref_eval=extrapolating_ref)

16
calculations/3body_HO_R2R_EC.jl
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@ -1,14 +1,22 @@
include("../ho_basis.jl")
include("../EC.jl")
V_of_r(r) = 2 * exp(-(r-3)^2 / (1.5)^2)
Λ = 0
m = 1.0
μω_global = 0.5 * exp(-2im * pi / 9)
E_max = 30
T = get_3b_H_matrix(src, V_of_r, μω_global, E_max, Λ, m, true, false)
V = get_3b_H_matrix(src, V_of_r, μω_global, E_max, Λ, m, false, true)
ref_E = 5.9673 - 0.0006im
training_c = 2.0 : -0.2 : 1.2
extrapolating_c = 1.05 .- [0.0 : 0.1 : 0.4; 0.45 : 0.05 : 0.60]
include("../ho_basis_3body_resonance.jl")
@time "H0" H0 = T1 + T2 + T_cross
EC = affine_EC(H0, V)
EC = affine_EC(T, V)
train!(EC, training_c; ref_eval=ref_E, CAEC=false)
extrapolate!(EC, extrapolating_c)

2
common.jl
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@ -1,5 +1,7 @@
using LinearAlgebra, DelimitedFiles, SparseArrays
@enum coordinate_system jacobi src
"Sum over array while minimizing catastrophic cancellation as much as possible"
function better_sum(arr::Array{T}) where T<:Real
pos_arr = arr[arr .> 0]

39
ho_basis.jl
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@ -237,10 +237,7 @@ function get_W_matrix(basis_p, basis::ho_basis_2B, μ1ω1, μ2ω2=μ1ω1; weight
return sparse(W)
end
@enum coordinate_system jacobi src
function get_3b_H_matrix(coord_system::coordinate_system, V_of_r, μω_global, E_max, Λ, m = 1.0; atol = 10^-5, maxevals = 10^5, verbose=true)
function get_3b_H_matrix(coord_system::coordinate_system, V_of_r, μω_global, E_max, Λ, m=1.0, kinetic_part=true, potential_part=true; atol = 10^-5, maxevals = 10^5, verbose=true)
if coord_system == jacobi
μ1ω1 = μω_global * 1/2
μ2ω2 = μω_global * 2
@ -254,27 +251,27 @@ function get_3b_H_matrix(coord_system::coordinate_system, V_of_r, μω_global, E
verbose || println("No of threads = ", Threads.nthreads())
@time "Basis" basis = ho_basis_2B(E_max, Λ)
verbose || println("Basis size = ", basis.dim)
verbose || println("Constructing KE matrices")
@time "T1" T1 = get_sp_T_matrix(basis.n1s, basis.l1s, [basis.n2s, basis.l2s]; μω_gen=μ1ω1, μ=μ1)
@time "T2" T2 = get_sp_T_matrix(basis.n2s, basis.l2s, [basis.n1s, basis.l1s]; μω_gen=μ2ω2, μ=μ2)
if coord_system == src
@time "T_cross" T_cross = get_2p_p1p2_matrix(basis, μ1ω1, μ2ω2; dtype=ComplexF64) ./ (2*μ)
else
T_cross = spzeros(basis.dim, basis.dim)
out = spzeros(basis.dim, basis.dim)
if kinetic_part
verbose || println("Constructing KE matrices")
@time "T1" out += get_sp_T_matrix(basis.n1s, basis.l1s, [basis.n2s, basis.l2s]; μω_gen=μ1ω1, μ=μ1)
@time "T2" out += get_sp_T_matrix(basis.n2s, basis.l2s, [basis.n1s, basis.l1s]; μω_gen=μ2ω2, μ=μ2)
if coord_system == src
@time "T_cross" out += get_2p_p1p2_matrix(basis, μ1ω1, μ2ω2; dtype=ComplexF64) ./ (2*μ)
end
end
verbose || println("Constructing PE matrices")
if coord_system == jacobi
@time "V" V = get_jacobi_V_matrix(V_of_r, basis, μ1ω1, μω_global; atol=atol, maxevals=maxevals)
elseif coord_system == src
@time "V" V = get_src_V_matrix(V_of_r, basis, μω, μω_global; atol=atol, maxevals=maxevals)
if potential_part
verbose || println("Constructing PE matrices")
if coord_system == jacobi
@time "V" out += get_jacobi_V_matrix(V_of_r, basis, μ1ω1, μω_global; atol=atol, maxevals=maxevals)
elseif coord_system == src
@time "V" out += get_src_V_matrix(V_of_r, basis, μω, μω_global; atol=atol, maxevals=maxevals)
end
end
verbose || println("Adding up all matrices")
@time "H" H = T1 + T2 + T_cross + V
return H
return out
end