print("") print("YtoKMatrix(0)") print(YtoKMatrix(0)) print("") print("YtoKMatrix(\"s\", {{\"addSpin\",false}})") print(YtoKMatrix("s", {{"addSpin",false}})) print("") print("YtoKMatrix(1)") print(YtoKMatrix(1)) print("") print("YtoKMatrix(\"p\")") print(YtoKMatrix("p")) print("") print("YtoKMatrix(2)") print(YtoKMatrix(2)) print("") print("YtoKMatrix(\"d\")") print(YtoKMatrix("d")) print("") print("YtoKMatrix({0,1,2}, {{\"addSpin\",false}})") print(YtoKMatrix({0,1,2}, {{"addSpin",false}})) print("") print("YtoKMatrix({\"s\",\"p\",\"d\"}, {{\"addSpin\",false}})") print(YtoKMatrix({"s","p","d"}, {{"addSpin",false}})) print("\n\n") print("A more realistic example") Orbitals = {"1s","2s","2p"} Indices, NF = CreateAtomicIndicesDict(Orbitals) --Some Operator definition on spherical harmonics op = NewOperator("U", NF, Indices["2p_Up"], Indices["2p_Dn"],{0,1}) print("Operator on a basis of spherical harmonics") print(op) opK = Rotate(op, YtoKMatrix(Orbitals)) print("Operator on a basis of cubic harmonics") print(opK)