The hydrogen molecule H2 in inclined configuration in a weak magnetic field
Por:
Alijah, Alexander, Lopez Vieyra, Juan Carlos, Nader, Daniel J., Turbiner, V, Alexander, Cobaxin H.M.
Publicada:
1 ene 2019
Resumen:
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 1Sg 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
Filiaciones:
Alijah, Alexander:
Université de Reims Champagne-Ardenne, Groupe de Spectrométrie Moléculaire et Atmosphérique (UMR CNRS 7331), U.F.R. Sciences Exactes et Naturelles, Moulin de la Housse B.P. 1039, Reims Cedex 2, F-51687, France
Univ Reims, Grp Spectrometr Mol & Atmospher, UMR CNRS 7331, UFR Sci Exactes & Nat, Moulin Housse BP 1039, F-51687 Reims 2, France
Lopez Vieyra, Juan Carlos:
Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Apartado Postal 70-543, Ciudad de México, 04510, Mexico
Turbiner, Alexander, V, Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Apartado Postal 70-543, Ciudad De Mexico 04510, DF, Mexico
Nader, Daniel J.:
Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Apartado Postal 70-543, Ciudad de México, 04510, Mexico
Turbiner, Alexander, V, Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Apartado Postal 70-543, Ciudad De Mexico 04510, DF, Mexico
Turbiner, V, Alexander:
Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Apartado Postal 70-543, Ciudad de México, 04510, Mexico
Cobaxin H.M.:
Instituto Tecnológico de Estudios Superiores de Monterrey, Eugenio Garza Sada 2501, Monterrey, N.L. 64849, Mexico
Inst Tecnol Estudios Super Monterrey, Eugenio Garza Sada 2501, Monterrey 64849, NL, Mexico
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