The role of d electrons in ab initio chemisorption cluster model calculations. Atomic hydrogen on Cu(100) and Ag(100)
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Condensed Matter Physics,General Chemistry
Reference34 articles.
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2. Testing the arbitrariness and limits of a pseudopotential technique through calculations on the series of diatoms HF, AlH, HCl, AlF, AlCl, F2, Cl2
3. Ab initiocluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfaces
4. Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals
5. On the use of frozen orbitals in molecular orbital cluster calculations: Cl on Si(111)
Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. An ab initio study of H chemisorption on Li clusters in fcc (110) and fcc (111) symmetries;Surface Science;1991-06
2. All electron versus pseudopotentials in ab initio chemisorption cluster model calculations;The Journal of Chemical Physics;1991-01-15
3. Reliability of one‐electron approaches in chemisorption cluster model studies: Role of core‐polarization and core–valence correlation effects;The Journal of Chemical Physics;1990-08-15
4. Chemisorption of atomic hydrogen on rhodium: An ab initio cluster-model approach;Chemical Physics Letters;1990-07
5. Ab initio self‐consistent field and configuration interaction study of Cu5O and Ag5O as models for oxygen chemisorption on Cu(100) and Ag(100);The Journal of Chemical Physics;1989-11
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