The hydrogen molecule $rm{H}_{2}$ in inclined configuration in a weak magnetic field


Abstract in English

Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule hh in inclined configuration, where the molecular axis forms an angle $theta$ with respect to the direction of a uniform constant magnetic field ${bf B}$, for $B=0,, 0.1,, 0.175$ and $0.2,$a.u. Three inclinations $theta=0^circ,,45^circ,,90^circ$ are studied in detail with emphasis to the ground state $1_g$. Diamagnetic and paramagnetic susceptibilities are calculated (for $theta=45^circ$ 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 Pade 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 $B leq B_{cr}=0.178,$a.u. corresponds always to the parallel configuration, $theta=0$, thus, it is a $^1Sigma_g$ state. The state $1_g$ remains bound for any magnetic field, becoming metastable for $B > B_{cr}$, while for $B_{cr} < B < 12$,a.u. the ground state corresponds to two isolated hydrogen atoms with parallel spins.

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