THE 2-PARTICLE ONE HOLE-TAMM-DANCOFF APPROXIMATION (2PH-TDA) DECOUPLING OF THE DILATED ELECTRON PROPAGATOR WITH APPLICATION TO P-2 SHAPE RESONANCES IN E-BE, E-MG, AND E-CA SCATTERING
Mn. Medikeri et al., THE 2-PARTICLE ONE HOLE-TAMM-DANCOFF APPROXIMATION (2PH-TDA) DECOUPLING OF THE DILATED ELECTRON PROPAGATOR WITH APPLICATION TO P-2 SHAPE RESONANCES IN E-BE, E-MG, AND E-CA SCATTERING, The Journal of chemical physics, 99(3), 1993, pp. 1869-1874
Formulas for the renormalized full two-particle one hole-Tamm-Dancoff
approximation (2ph-TDA) decoupling of the dilated biorthogonal electro
n propagator based on complex scaled bivariational self-consistent-fie
ld (SCF) procedure are derived and the diagonal 2ph-TDA approximation
is implemented for the first time. The 2P shape resonances in e-Be, e-
Mg, and e-Ca scattering are characterized using the diagonal 2ph-TDA,
the second-order and the zeroth-order (bivariational SCF) approximatio
ns to the dilated electron propagator. A comparative investigation of
these different decouplings reveals that although the resonance energi
es and widths depend on the level of correlation employed, greater cor
relation need not lead to sharper resonances.