CNDO/2 calculations of relaxation and reconstruction of diamond and silicon [111] surfaces

• 1 May 1982
• journal article
• research article
• Published by Wiley in International Journal of Quantum Chemistry
• Vol. 21  (5) , 813-822
• https://doi.org/10.1002/qua.560210506

Abstract

Keywords

• MODELS
• SILICON
• CNDO/2
• DIAMOND
• PSEUDOATOM
• PARAMETRIZATION
• CHARGE
• SP2
• SATURATION
• RECONSTRUCTION