PARAMAGNETISM OF CLOSED-SHELL DIATOMIC HYDRIDES WITH 6 VALENCE-ELECTRONS

We have investigated the potential temperature independent van Vleck p aramagnetism of closed shell diatomic hydrides, with six valence elect rons. More specifically, we have studied the magnetizability of the fi rst row hydrides BeH-, BH, CH+, of the second row hydrides MgH-, AlH, and SiH+, and of the third row hydride GeH+. The magnetizability was c alculated using a gauge origin independent method at the uncorrelated SCF level within the random-phase approximation (RPA) as well as at di fferent correlated levels within the second-order polarization propaga tor approximation (SOPPA) or various coupled cluster polarization prop agator approximations (CCDPPA/CCSDPPA). We find that BH, CH+, and SiH are paramagnetic, MgH-, AlH, and GeH+ are diamagnetic and BeH- is a b orderline case tilting towards paramagnetism. It is primarily variatio ns in the diamagnetic contribution to the magnetizability that determi ne the overall sip of the magnetizability.