Electron propagator calculations of various levels are compared with coupled-cluster and Fock-space coupled-cluster methods on 0s ionization energies where final states are dominated by a single configuration. Among the electron propagator methods is an approximation that employs corrections to refe
β¦ LIBER β¦
Single-reference electron propagator calculations on vertical ionization energies of ozone
β Scribed by J.V. Ortiz
- Book ID
- 108312640
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 79 KB
- Volume
- 297
- Category
- Article
- ISSN
- 0009-2614
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## Abstract Vertical electron detachment energies of nickel phthalocyanine tetrasulfonate tetraanion (NiPcTSTA) isomers were obtained with ab initio electron propagator methods. Quasiparticle, outer valence Green's function (OVGF), and partial thirdβorder approximations were applied to the most sta