Abstract
The inclusion of arbitrary distance constraints into diffusion Monte Carlo can be done identically to the methods already developed and used in classical simulations. With this approach, the appropriate generalized coordinates do not have to be found and sampled to simulate systems with internal degrees of freedom.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 44-47 |
| Number of pages | 4 |
| Journal | Journal of Chemical Physics |
| Volume | 113 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jul 1 2000 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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