1s22p3 and 1s22s23l, l = s,p,d, excited states of boron isoelectronic series from explicitly correlated wave functions.
For some members of the boron isoelectronic series and starting from explicitly correlated wave functions, six low-lying excited states have been studied. Three of them arise from the 1s(2)2p(3) configuration, and the other three from the 1s(2)2s(2)3l, l = s,p,d, configurations. This work follows a previous one on both the 1s(2)2s(2)2p-(2)P ground state and the four excited states coming from the 1s(2)2s2p(2) configuration. Energies, one- and two-body densities in position space and some other two-body properties in position and momentum spaces have been obtained. A systematic analysis of the energetic ordering of the states as a function of the total orbital angular momentum and spin is performed in terms of the electron-nucleus and electron-electron potential energies and the role of the angular correlation is discussed. All calculations have been carried out by using the Monte Carlo algorithm.
Gálvez
F J
FJ
Departamento de Física Moderna, Facultad de Ciencias, Universidad de Granada, Spain.
Buendía
E
E
Sarsa
A
A