A method to calculate vibrational frequency shifts in heteroclusters: Application to N-2(+)-He-n
A method is proposed whereby vibrational frequency shifts can be calculated in weakly bound heteroclusters and is applied to the ionic N2+-Hen clusters. We use diffusion Monte Carlo to simulate the 3n degrees of freedom of the N2+-Hen interactions while the N-N vibrational motion is solved by an adi...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
1996
|