Integrate <I₀> to unity (#15)

* Integrate <I₀> to unity * Bump version
JuliaAtoms · Oct 11, 2022 · 1271f9f · 1271f9f · jagot · Oct 14, 2022
1 parent b160168
commit 1271f9f
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Showing 3 changed files with 15 additions and 1 deletion.
diff --git a/Project.toml b/Project.toml
@@ -1,7 +1,7 @@
 name = "AngularMomentumAlgebra"
 uuid = "0bb1b1ac-0216-11e9-361b-bb110c659ce1"
 authors = ["Stefanos Carlström <[email protected]>"]
-version = "0.2.0"
+version = "0.2.1"
 
 [deps]
 AtomicLevels = "10933b4c-d60f-11e8-1fc6-bd9035a249a1"

diff --git a/src/energy_expressions.jl b/src/energy_expressions.jl
@@ -23,6 +23,8 @@ coordinates (see [`multipole_expand`](@ref)).
 integrate_spinor(me::OrbitalMatrixElement{2,<:Any,<:CoulombInteraction,<:Any}) =
     multipole_expand(me)
 
+integrate_spinor(me::OrbitalMatrixElement{0, <:Any, IdentityOperator{0}, <:Any}) =
+    one(NBodyMatrixElement)
 
 """
     integrate_spinor(integral::NBodyTermFactor)

diff --git a/test/energy_expressions.jl b/test/energy_expressions.jl
@@ -26,6 +26,18 @@
                 end
             end
         end
+
+        @testset "Zero-body identity operator" begin
+            I₀ = IdentityOperator{0}()
+
+            me = ome([], I₀, [])
+            @test isone(integrate_spinor(me))
+
+            cfgs = [sc"1s₀α kp₀α"]
+            oo = ov(so"kp₀α", so"kp₀α")
+            E = Matrix(I₀, cfgs, [oo])
+            @test E == NBodyMatrixElement[nbt(oo)][:,:]
+        end
     end
 
     @testset "Multi-configurational" begin