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Fix: FiniteExcited excitations should return sorted by energies #443

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Merged
lkdvos merged 3 commits into from
Jun 22, 2026
Merged

Fix: FiniteExcited excitations should return sorted by energies #443

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f762459
Fix FiniteExcited docstring energy penalty sign
lkdvos Jun 22, 2026
794d193
Return FiniteExcited excitations in ascending energy order
lkdvos Jun 22, 2026
8ed417c
add test
lkdvos Jun 22, 2026
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6 changes: 3 additions & 3 deletions src/algorithms/excitation/dmrgexcitation.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ $(TYPEDEF)
Variational optimization algorithm for excitations of finite MPS by minimizing the energy of

```math
H - λᵢ |ψᵢ⟩⟨ψᵢ|
H + λᵢ |ψᵢ⟩⟨ψᵢ|
```

## Fields
Expand Down Expand Up @@ -37,8 +37,8 @@ function excitations(
nstates = (states..., ne)
ens, excis = excitations(H, alg, nstates; init = init, num = num - 1)

push!(ens, expectation_value(ne, H))
push!(excis, ne)
pushfirst!(ens, expectation_value(ne, H))
pushfirst!(excis, ne)

return ens, excis
end
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3 changes: 2 additions & 1 deletion test/algorithms/excitations.jl
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Expand Up @@ -74,8 +74,9 @@ verbosity_conv = 1
DMRG(; verbosity, tol = 1.0e-6),
DMRG2(; verbosity, tol = 1.0e-6, trscheme = trunctol(; atol = 1.0e-4)),
)
energies_dm, _ = @testinferred excitations(H, FiniteExcited(; gsalg), ψ)
energies_dm, _ = @testinferred excitations(H, FiniteExcited(; gsalg), ψ; num = 3)
@test energies_dm[1] ≈ energies_QP[1] + expectation_value(ψ, H, envs) atol = 1.0e-4
@test issorted(real.(energies_dm))
end

# find energy with Chepiga ansatz
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