The hydrogen molecule H2 in inclined configuration in a weak magnetic field

Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule H2 in inclined configuration, where the molecular axis forms an angle ¿ with respect to the direction of a uniform constant magnetic field B, for B=0,0.1,0.175 and 0.2 a.u. Three inclinations ¿=0¿,45¿,90¿ are studied in detail with emphasis to the ground state 1g. Diamagnetic and paramagnetic susceptibilities are calculated (for ¿=45¿ for the first time), they are in agreement with the experimental data and with other calculations. For B=0,0.1 and 0.2 a.u. potential energy curves E vs R are built for each inclination, they are interpolated by simple, two-point Padé approximant Pade[2/6](R)with accuracy of not less than 4 significant digits. Spectra of rovibrational states are calculated for the first time. It was found that the optimal configuration of the ground state for B¿Bcr=0.178 a.u. corresponds always to the parallel configuration, ¿=0, thus, it is a 1¿g state. The state 1g remains bound for any magnetic field, becoming metastable for B > Bcr, while for Bcr < B < 12 a.u. the ground state corresponds to two isolated hydrogen atoms with parallel spins. © 2019 Elsevier Ltd

The hydrogen molecule H2 in inclined configuration in a weak magnetic field Academic Article in Scopus