Inner shells do not cause grave difficulties in resonance studies for atoms with the direct complex-coordinate method Academic Article uri icon

abstract

  • Many papers in the 1970s and 1980s state that inner shells cause considerable difficulties in resonance studies with the direct complex-coordinate method, especially for high-Z systems. However, our studies show that after rotating the Hamiltonian into complex space, inner-shell orbitals for atoms are not highly oscillatory. Because of an overall exponential decay, they do not cause grave difficulties in resonance studies. The results depend greatly on the choice of basis set. To demonstrate this, the doubly excited 2s2 1S states of He and He-like Ne (Ne8 +) are examined with a complex-scaled multireference configuration-interaction method. 2012 American Physical Society.

published proceedings

  • Physical Review A

author list (cited authors)

  • Zhang, S. B., & Yeager, D. L.

citation count

  • 4

complete list of authors

  • Zhang, Song Bin||Yeager, Danny L

publication date

  • May 2012