Ionization energies and term energies of the ground states 1s~22s of lithium-like systems

【摘要】 We extend the Hamiltonian method of the full-core plus correlation(FCPC) by minimizing the expectation value to calculate the non-relativistic energies and the wave functions of 1s22s states for the lithium-like systems from Z = 41 to 50. The mass-polarization and the relativistic corrections including the kinetic-energy correction, the Darwin term, the electron–electron contact term, and the orbit–orbit interaction are calculated perturbatively as first-order correction. The contribution from quantum electrodynamic(QED) is also explored by using the effective nuclear charge formula. The ionization potential and term energies of the ground states 1s22s are derived and compared with other theoretical calculation results. It is shown that the FCPC methods are also effective for theoretical calculation of the ionic structure for high nuclear ion of lithium-like systems.更多还原

【Abstract】 We extend the Hamiltonian method of the full-core plus correlation(FCPC) by minimizing the expectation value to calculate the non-relativistic energies and the wave functions of 1s22s states for the lithium-like systems from Z = 41 to 50. The mass-polarization and the relativistic corrections including the kinetic-energy correction, the Darwin term, the electron–electron contact term, and the orbit–orbit interaction are calculated perturbatively as first-order correction. The contribution from quantum electrodynamic(QED) is also explored by using the effective nuclear charge formula. The ionization potential and term energies of the ground states 1s22s are derived and compared with other theoretical calculation results. It is shown that the FCPC methods are also effective for theoretical calculation of the ionic structure for high nuclear ion of lithium-like systems.更多还原