Critical bug related to Jacobi coordinates fixed

This commit is contained in:
Nuwan Yapa 2024-03-25 19:22:04 -04:00
parent ead7380919
commit 84a3c61cd5
1 changed files with 7 additions and 6 deletions

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@ -12,8 +12,8 @@ Ra = 2
μ1 = m * 1/2
μ2 = m * 2/3
c1 = 1/sqrt(2)
c2 = sqrt(2)
c = sqrt(2)
c2 = 2
println("No of threads = ", Threads.nthreads())
@ -21,13 +21,14 @@ Es, n1s, l1s, n2s, l2s = get_2p_basis(E_max)
println("Basis size = ", length(Es))
println("Constructing KE matrices")
@time "T1" T1 = sp_T_matrix(n1s, l1s; ω=ω, μ=c1^2 * μ1)
@time "T1" T1 = sp_T_matrix(n1s, l1s; ω=ω, μ=μ1)
@time "T2" T2 = sp_T_matrix(n2s, l2s; ω=ω, μ=c2^2 * μ2)
println("Constructing PE matrices")
V_l(l, n1, n2) = Va * V_Gaussian(Ra, l, n1, n2; ω=ω)
@time "V1" V1 = sp_V_matrix(V_l, n1s, l1s)
@time "V relative" V_relative = V1 + sp_V_matrix(V_l, n2s, l2s)
V1_elem(l, n1, n2) = Va * V_Gaussian(Ra, l, n1, n2; ω=ω)
V_relative_elem(l, n1, n2) = Va * V_Gaussian(Ra / c, l, n1, n2; ω=ω)
@time "V1" V1 = sp_V_matrix(V1_elem, n1s, l1s)
@time "V relative" V_relative = sp_V_matrix(V_relative_elem, n1s, l1s) + sp_V_matrix(V_relative_elem, n2s, l2s)
@time "Moshinsky brackets" U = Moshinsky_transform(Es, n1s, l1s, n2s, l2s, Λ)
@time "V2" V2 = U' * V_relative * U