ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Many-body Green's-function calculations which employ large configurational expansions and which are accurate to third and fourth order of perturbation theory are reported for the valence ionic states of HCl. Large polarized basis sets including Rydberg functions s-, p-, and d-type symmetries have been used. Third-order calculations are sufficient in the outer valence region, but in the inner valence region where the complete breakdown of the one-particle picture of ionization is observed a fourth-order theory is necessary in conjunction with large basis sets. The synchrotron and x-ray excited spectra can be assigned nearly up to the double-ionization threshold in a very satisfactory way. No indication of strong outer valence satellite lines is found.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457740
