Direct force calculation in the Xα method and its application to chemisorption of an oxygen atom on the Al(111) surface
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 articles.
1. Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters
2. Discrete Variational Xα Cluster Calculations. II. Application to the Surface Electronic Structure of MgO
3. Discrete Variational X α Cluster Calculations. III. Application to Transition Metal Complexes
4. Calculation of the ionization potentials of ozone and ammonia by a LCAO‐Xα method
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