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Physical Review B

Volumn 38, Issue 3, 1988, Pages 1849-1855

Local-orbital basis for defect electronic structure calculations of an Al(100) film

(1) Feibelman, Peter J a

a SANDIA NATIONAL LABORATORIES (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 26344479960 PISSN: 01631829 EISSN: None Source Type: Journal
DOI: 10.1103/PhysRevB.38.1849 Document Type: Article

Times cited : (29)

References (19)

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- Feibelman, P.J.¹ Hamann, D.R.²

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- edited by, S. Lundqvist, N. H. March, Plenum, New York
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- d'Etudes de Surface¹

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- Ho, K.M.¹ Bohnen, K.P.²

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17
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18
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- This equation, as printed in Ref. 2, contains several typographical errors. On the left-hand side, del vec should be del vecRν . On the right-hand side, the third term is missing the factor Zn prime prime , while the term + ^sumn prime ^ Zν Z n prime del Rν ( 2/| Rν - R n prime | ) is missing entirely.

19
- 84926797177
- Several calculations have shown that the relaxation at equilibrium is roughly case 1 over 3 the force (in eV/bohr) on a single atom at the ideal separation expressed as a percentage.

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