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A density functional especially designed for hydrogen-only systems
H. Chermette, H. Razafinjanahary and L. Carrion
Journal of chemical physics, 107 (24) (1997), p10643-10651
Keywords: hydrogen neutral atoms • hydrogen neutral molecules • dissociation energies • ab initio calculations • density functional theory • atom-molecule reactions • positive ions
DOI:10.1063/1.474180 | unige:2783 | Abstract | Article PDF | Article PS (gzipped)