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Effects of a Polarized Wave Function in Calculations of Inner-Shell Ionization Probability

✍ Scribed by Land, D. J.; Basbas, G.; Brown, M. D.; Simons, D. G.


Book ID
114662668
Publisher
IEEE
Year
1983
Tongue
English
Weight
583 KB
Volume
30
Category
Article
ISSN
0018-9499

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The calculation of initial-state effects
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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