Journal or Book Title
Journal of Chemical Physics
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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Gordon, Mark S.; Shoemaker, James R.; and Burggraf, Larry W., "Response to “Comment on ‘An Ab Initio Cluster Study of the Structure of the Si(001) Surface’ ” [J. Chem. Phys. 113, 9353 (2000)]" (2000). Chemistry Publications. 395.