Abstract
The valence shell of a Si atom was analyzed to determine the exchange correlation holes and pair-correlation functions using variational Monte Carlo methods. The transition of the Si from efficient to poor screening behavior was reported. The differences in the exchange holes were responsible for the behavior of Si.
| Original language | English |
|---|---|
| Pages (from-to) | 062507-062501 |
| Number of pages | 5 |
| Journal | Physical Review A. Atomic, Molecular, and Optical Physics |
| Volume | 62 |
| Issue number | 6 |
| DOIs | |
| State | Published - Dec 1 2000 |
| Externally published | Yes |
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