Response to “Comment on ‘An Ab Initio Cluster Study of the Structure of the Si(001) Surface’ ” [J. Chem. Phys. 113, 9353 (2000)]
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2000-11-01
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Abstract
Given the agreement among TCSCF, MP2, and MRMP methods, it is concluded that the structure of Si9H12 is symmetric, that dynamic correlation does not play a major role in determining the structure, and that DFT incorrectly predicts Si9H12 to be buckled.
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This article is from Journal of Chemical Physics 113 (2000): 9355, doi:10.1063/1.1320059.