Autoionizing states of atoms calculated using generalized sturmians
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Autoionizing states of atoms calculated using generalized sturmians. / Avery, James Emil; Avery, John Scales.
Advances in quantum chemistry. ed. / John R. Sabin; Errki J. Brändas. Academic Press, 2005. p. 103-119 (Advances in Quantum Chemistry, Vol. 49).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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TY - CHAP
T1 - Autoionizing states of atoms calculated using generalized sturmians
AU - Avery, James Emil
AU - Avery, John Scales
PY - 2005
Y1 - 2005
N2 - The generalized Sturmian method is applied to autoionizing statesof atoms and ions. If the Goscinskian basis sets allow for a sufficientamount of angular correletion, the calculated energies of doubly-excited(autoionizing) states are found to agree well with the few availableexperimental energies. A large-Z approximation is discussed, and simpleformulas are derived which are valid not only for autoionizing states,but for all states of an isoelectronic atomic series. Diagonalizationof a small block of the interelectron repulsion matrix yields roots that can be used for a wide range of Z values.
AB - The generalized Sturmian method is applied to autoionizing statesof atoms and ions. If the Goscinskian basis sets allow for a sufficientamount of angular correletion, the calculated energies of doubly-excited(autoionizing) states are found to agree well with the few availableexperimental energies. A large-Z approximation is discussed, and simpleformulas are derived which are valid not only for autoionizing states,but for all states of an isoelectronic atomic series. Diagonalizationof a small block of the interelectron repulsion matrix yields roots that can be used for a wide range of Z values.
U2 - 10.1016/S0065-3276(05)49002-4
DO - 10.1016/S0065-3276(05)49002-4
M3 - Book chapter
SN - 978-0-12-034849-7
T3 - Advances in Quantum Chemistry
SP - 103
EP - 119
BT - Advances in quantum chemistry
A2 - Sabin, John R.
A2 - Brändas, Errki J.
PB - Academic Press
ER -
ID: 4078577