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H. Medel Cobaxin

Publications and source records attributed to H. Medel Cobaxin.

3 recordsLinked to original sources

The hydrogen molecule $\rm{H}_{2}$ 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 \hh in inclined configuration, where the molecular axis forms an angle $θ$ 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 $θ=0^\circ,\,45^\circ,\,90^\circ$ are studied in detail with emphasis to the ground state $1_g$. Diamagnetic and paramagnetic susceptibilities are calculated (for $θ=45^\circ$ 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 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 $B \leq B_{cr}=0.178\,$a.u. corresponds always to the parallel configuration, $θ=0$, thus, it is a $^1Σ_g$ 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.

physics.atom-ph↗

A note about the ground state of the ${\rm H}_3^+$ hydrogen molecular ion

Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among several-parametric trial functions. These trial functions are chosen following a criterion of physical adequacy and includes the electronic correlation in the exponential form $\sim\exp{(γr_{12})}$, where $γ$ is a variational parameter. The Born-Oppenheimer energy is found to be $E=-1.340 34, -1.340 73, -1.341 59$\,a.u., respectively, for optimal equilateral triangular configuration of protons with the equilibrium interproton distance $R=1.65$\,a.u. The variational energy agrees in three significant digits (s.d.) with most accurate results available at present as well as for major expectation values.

quant-ph↗

Critical charges of simple Coulomb molecular systems: One-two electron case

Let us consider some Coulomb systems of several infinitely massive centers of charge Z and one-two electrons: $(Z,e)$, $(2Z,e)$, $(3Z,e)$, $(4Z,e)$, $(2Z,e,e)$, $(3Z,e,e)$. It is shown that the physical, integer charges $Z=1,2,...$ do not play a distinguished role in total energy and equilibrium distance of a system giving no indication to a charge quantization. By definition, a critical charge $Z_{cr}$ for a given Coulomb system $(nZ,e)$ or $(nZ,e,e)$ is a charge which separates a domain of the existence of bound states from a domain of unbound ones (continuum). For all above-mentioned systems critical charges $Z_c$ as well as equilibrium geometrical configurations are found. For all studied systems there was obtained an indication to a square-root singularity at $Z=Z_{cr}$.

quant-ph↗