STATE-SPECIFIC THEORY AND COMPUTATION OF A POLYELECTRONIC ATOMIC STATE IN A MAGNETIC-FIELD - APPLICATION TO DOUBLY-EXCITED STATES OF H-

The problem of computing the intrinsic properties of the system 'many- electron atomic state plus magnetic field' is treated by formulating a nd solving state-specific, non-Hermitian matrices of manageable sizes. These are created by appropriate choices and optimization of differen t function spaces representing the localized and the asymptotic part o f the wavefunction of the field-dressed state which is made square-int egrable through the use of r --> re(-itheta) for the coordinate of the outgoing electron. The localized parts of the wavefunction and of the Hamiltonian are expressed in terms of the real coordinates. Applicati on was made to the closely lying H- doubly excited states 2p2 3P, '2s2 + 2p2, 1S and 2p2 1D for field strengths gamma = 0.0-0.03 au and resu lts were obtained for the variation of the binding energies with respe ct to the H n = 2 threshold, the autoionization widths and the geometr ical shapes of the electron density.