Schematic diagram of the Hamiltonian matrix for f symmetry levels. 1Pi, 3Sig, 3Pi - symbolize the corresponding PECs SO stands for the spin-orbit matrix elemens. For example 1.0*so1p3s means that the radial function for the 1Pi-3Sigma+ states is used with a multiplier of 1.0. JS, LS and LJ indicate the rotational off-diagonal elements. Only LS and LJ have radial functions, e.g. L3s3p - for the triplet pair of states. f-Matrix channel no. 1 | 2 | 3 | 4 | 5 | Q.num. Lam S Sig Ome | Lam S Sig Ome | Lam S Sig Ome | Lam S Sig Ome | Lam S Sig Ome | 1 0 0 1 | 0 1 1 1 | 0 1 0 0 | 1 1 0 1 | 1 1 -1 0 | -------------------------------------------------------------------------------------------------------------- 1Pi | | | | | | | | | | |SO: 1.0*so1p3s | |SO:-1.0*so1p3p | | | | | | | | | | | | -------------------------------------------------------------------------------------------------------------- -------------------------------------------------------------------------------------------------------------- |3sig | | | | | | | | | SO: 1.0*so1p3s | | |SO: 1.0*so3p3s | | | |JS: 1.0*SJ |L+: 1.0*L3p3s |L+: 1.0*L3p3s | | | JS | LS | LJ | -------------------------------------------------------------------------------------------------------------- -------------------------------------------------------------------------------------------------------------- | |3sig | | | | | | | | | | | |SO: 1.4*so3p3s | |JS: 1.0*SJ | |L+: 1.0*L3p3s |L+: 1.0*L3p3s | | JS | | LJ | LS | -------------------------------------------------------------------------------------------------------------- -------------------------------------------------------------------------------------------------------------- | | |3pi | | | | | | | SO:-1.0*so1p3p |SO: 1.0*so3p3s | | | | |L+: 1.0*L3p3s |L+: 1.0*L3p3s | |JS: 1.0*SJ | | LS | LJ | | JS | -------------------------------------------------------------------------------------------------------------- -------------------------------------------------------------------------------------------------------------- | | | |3pi | | | | | | | |SO: 1.4*so3p3s | |SO:-1.0*so3p3p | |L+: 1.0*L3p3s |L+: 1.0*L3p3s |JS: 1.0*SJ | | | LJ | LS | JS | | --------------------------------------------------------------------------------------------------------------