Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference109 articles.
1. Adsorption and energetics of isolated CO molecules on Pd(111)
2. Dependence of stretching frequency on surface coverage and adsorbate–adsorbate interactions: a density-functional theory approach of CO on Pd (111)
3. Relativistic calculations on the adsorption of CO on the (111) surfaces of Ni, Pd, and Pt within the zeroth-order regular approximation
4. The chemisorption of carbon monoxide on palladium single crystal surfaces: IR spectroscopic evidence for localised site adsorption
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