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Accurate calculation of inner-shell ionization

✍ Scribed by D. Trautmann; F. Rösel; G. Baur


Publisher
Elsevier Science
Year
1983
Weight
460 KB
Volume
214
Category
Article
ISSN
0167-5087

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📜 SIMILAR VOLUMES


The calculation of initial-state effects
✍ Knut J. Børve; T.Darrah Thomas 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 73 KB

In order to obtain chemical insight from shifts in core-ionization energies, DI, it is often desirable to separate the initial-state contribution, DV, from that caused by relaxation in the final state, DR. These quantities are related through DI 5 DV 2 DR. Whereas the chemical shift itself, DI, may