The rovibrational spectrum of neon trimer in a three–dimensional Faddeev approach

The three-dimensional (3D) form of Faddeev integral equations for three-body (3B) bound states with amplitudes depending on the Jacobi momentum vectors [1] are solved to calculate the rovibrational energy levels and wave functions of Neon trimer ground and excited states. The inputs for 3D Faddeev integral equation are the fully-off-shell transition matrix elements that are calculated from Ne-Ne interactions developed by Hellmann et al. [2]. The properties of Ne trimer ground and excited state wave functions are studied in detail. The stability and accuracy of our numerical solutions are tested by calculating the expectation value of the 3B Hamiltonian, indicating an excellent agreement with the energy eigenvalues.

[1] M. R. Hadizadeh, M. Radin, and K. Mohseni, Sci. Rep. 10, 1949 (2020). https://doi.org/10.1038/s41598-020-58577-4

[2] R. Hellmann , B. Eckard, and V. Eckhard , Molecular Physics 106.1, 133 (2008). https://doi.org/10.1080/00268970701843147