About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review B
Paper
CO core-excited states for CO/Cu(100): A cluster-model study
Abstract
Cluster-model self-consistent-field studies of the core-level excitations of CO chemisorbed on Cu demonstrate several important features of the bonding for these states. We show that there are significant differences among the ligand-metal interaction energies for the C1s* and O1s* core excitations and for the ground state. We also discuss the relationship between these states and the screened ligand core-ion states. Finally, we show that different spin coupling of the open shells of the core-excited CO may be sufficiently large to be observable. These features are interpreted and explained in a qualitative way in terms of the equivalent core model. © 1985 The American Physical Society.