SEPARATION OF INITIAL AND FINAL STATE CONTRIBUTIONS TO CHEMICAL SHIFTS IN TERMS OF A POTENTIAL MODEL

R.J. Cole and P. Weightman
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R.J. Cole: Surface Science Research Centre and Physics Department, University of Liverpool, P.O. Box 147, Liverpool L69 3BX, UK
P. Weightman: Surface Science Research Centre and Physics Department, University of Liverpool, P.O. Box 147, Liverpool L69 3BX, UK

Surface Review and Letters (SRL), 1994, vol. 01, issue 04, 469-472

Abstract: A recently developed potential model facilitates the separation of initial and final state contributions to chemical shifts in terms of ground state charge transfer and differences in core hole screening charge. The model is applied to the free atom to elemental solid shifts of the elements Na, Mg, Si, and Zn.

Date: 1994
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DOI: 10.1142/S0218625X9400045X

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