A COMPARISON OF CONVENTIONAL AND RIGID-BODY DIFFUSION MONTE-CARLO TECHNIQUES - APPLICATION TO WATER DIMER
Diffusion Monte Carlo calculations on the ground state of the water dimer are reported. Two versions of the method have been used. The first is the conventional method with importance sampling which simulates all vibrations in the dimer and the second is one due to Buch which treats the water monome...
| Hlavní autoři: | , |
|---|---|
| Médium: | Journal article |
| Jazyk: | English |
| Vydáno: |
1994
|