Coulomb-stable triply charged diatomic: HeY3+
Abstract
Accurate relativistic coupled-cluster calculations show that the triply charged species HeY3+ is a stable molecule and represents the lightest diatomic trication that does not undergo a Coulomb fragmentation into charged fragments. The diatomic potential-energy curve is approximated by an extended Morse potential, and vibrational-rotational constants for HeY3+ are predicted (Re=224.3 pm, D0=0.394 eV, ωe=437 cm-1, ωexe=15.8 cm-1, Be=0.877 cm-1). It is further shown that the He-Y3+ bond can basically be described as a charge-induced dipole interaction.
- Publication:
-
Physical Review A
- Pub Date:
- November 1999
- DOI:
- 10.1103/PhysRevA.60.R3347
- Bibcode:
- 1999PhRvA..60.3347W
- Keywords:
-
- 31.25.Nj;
- 32.10.-f;
- 31.30.Jv;
- 33.20.Vq;
- Electron correlation calculations for diatomic molecules;
- Properties of atoms;
- Relativistic and quantum electrodynamic effects in atoms and molecules;
- Vibration-rotation analysis