Please add a basis function that holds the function like the custom term of hamiltonian:
|
Base.@kwdef struct Custom <: PotentialTerm |
|
f::Function |
|
end |
The function element(o::Custom, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis) can be reused.
|
function element(o::Custom, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis) |
|
value, _ = QuadGK.quadgk( |
|
r -> 4π * r^2 * φ(SGB1, r) * V(o, r) * φ(SGB2, r), |
|
0.0, |
|
Inf, |
|
rtol=1e-10, |
|
atol=1e-12, |
|
) |
|
return value |
|
end |
One suggested name is CustomBasis.
Please add a basis function that holds the function like the custom term of hamiltonian:
TwoBody.jl/src/Hamiltonian.jl
Lines 77 to 79 in c67ec58
The function
element(o::Custom, SGB1::SimpleGaussianBasis, SGB2::SimpleGaussianBasis)can be reused.TwoBody.jl/src/Rayleigh-Ritz.jl
Lines 432 to 441 in c67ec58
One suggested name is
CustomBasis.