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One-body Green's function for atoms and molecules: theory and application
Open accessAbstract
The one-body Green's function is investigated by expanding the self-energy part up to third order. On this level some properties of the diagrams of the self-energy part are discussed. To estimate the contribution of higher orders of the self-energy part an effective time dependent interaction is introduced. It is found that the main contributions due to this interaction can be determined by considering the analytic properties of second and third order terms only. The numerical effort required can thus be strongly reduced. The theory is applied to calculate the vertical ionization potentials of B 2 H 6 . The calculation of the pole strengths shows that one may expect satellite lines in the photoelectron spectrum of B 2 H 6 with about 10% of the intensity of the principal valence lines due to excitations accompanying ionization.
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Cited by
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Alexandrova, A. N., Boldyrev, A. I., Zhai, H.-J., & Wang, L.-S. (2006) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2006.03.032 · Cited by 712
All-Metal Aromaticity and Antiaromaticity
Boldyrev, A. I., & Wang, L.-S. (2005) · Chemical Reviews · doi:10.1021/cr030091t · Cited by 608
All-boron analogues of aromatic hydrocarbons: B17− and B18−
Sergeeva, A. P., Averkiev, B. B., Zhai, H.-J., Boldyrev, A. I., & Wang, L.-S. (2011) · The Journal of Chemical Physics · doi:10.1063/1.3599452 · Cited by 332
First experimental photoelectron spectra of superhalogens and their theoretical interpretations
Wang, X.-B., Ding, C.-F., Wang, L.-S., Boldyrev, A. I., & Simons, J. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478386 · Cited by 299
Alexandrova, A. N., Boldyrev, A. I., Fu, Y.-J., Yang, X., Wang, X.-B., & Wang, L.-S. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1783276 · Cited by 271
Metadata
- Authors
- Cederbaum, L. S.
- Venue
- Journal of Physics B: Atomic and Molecular Physics
- Publisher
- IOP Publishing
- Published
- 1975-02-01
- Volume
- 8
- Issue
- 2
- Pages
- 290-303
- ISSN
- 0022-3700 (ISSN-L)
- OpenAlex
- W2081497997
- Cited by
- 570
- References
- 0
- FWCI
- 9.38
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Cederbaum, L. S. (1975). One-body Green's function for atoms and molecules: theory and application. Journal of Physics B: Atomic and Molecular Physics. https://doi.org/10.1088/0022-3700/8/2/018
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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