TY - JOUR
T1 - The potential energy curves of the X 2Πg, a i 4Πu,i a 2Πu, b 4Σg-, B 2Σg-, 2Πu, and c 4Σu- states of O2+ obtained...
AU - Yeager, Danny L.
AU - Nichols, Jeffrey A.
AU - Golab, Joseph T.
PY - 1994
Y1 - 1994
N2 - Full title: The potential energy curves of the X 2Πg, a i 4Πu,i a 2Πu, b 4Σg-, B 2Σg-, 2Πu, and c 4Σu- states of O2+ obtained using the muiticonfigurational spin tensor electron propagator method. With electron propagator methods, electronic ionization and attachment energies are obtained directly. The multiconfigurational spin tensor electron propagator method (MCSTEP) is explicitly designed for systems with open shell and/or nondynamical correlation in the initial state. We apply MCSTEP to O 2 at several internuclear separations and obtain and report the MCSTEP potential energy curves and the spectroscopic constants for the X 2Πg , α 4Πu , A 2Πu , b 4Σg- , B 2Σg- , 2Πu, and c 4ΣΣu- states of O 2+.
AB - Full title: The potential energy curves of the X 2Πg, a i 4Πu,i a 2Πu, b 4Σg-, B 2Σg-, 2Πu, and c 4Σu- states of O2+ obtained using the muiticonfigurational spin tensor electron propagator method. With electron propagator methods, electronic ionization and attachment energies are obtained directly. The multiconfigurational spin tensor electron propagator method (MCSTEP) is explicitly designed for systems with open shell and/or nondynamical correlation in the initial state. We apply MCSTEP to O 2 at several internuclear separations and obtain and report the MCSTEP potential energy curves and the spectroscopic constants for the X 2Πg , α 4Πu , A 2Πu , b 4Σg- , B 2Σg- , 2Πu, and c 4ΣΣu- states of O 2+.
UR - http://www.scopus.com/inward/record.url?scp=0011587329&partnerID=8YFLogxK
U2 - 10.1063/1.467060
DO - 10.1063/1.467060
M3 - Article
AN - SCOPUS:0011587329
SN - 0021-9606
VL - 100
SP - 6514
EP - 6519
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 9
ER -