Abstract

Tables of electronic wavefunctions are presented for the diatomic hydrides AH where A denotes the elements Li through F and Na through Cl. The results are given for the exprimental (or theoretical) internuclear separation. These wavefunctions are approximate solutions to the restricted Hartree-Fock equations obtained by means of the expansion method with extensive basis sets of Slater-type-functions. The repertory of states includes the ground states of the systems indicated, a few low-lying excited states, and positive and negative ions. The calculations are restricted to states involving either closed-shell electronic configurations or open-shell configurations with one incompletely filled open shell. A brief introduction to the formalism and the key expressions for this and the two following paper § § Part II. First-Row Homonuclear Systems, A 2, A 2 ±, and A 2 ∗ and Part III. First-Row Heteronuclear Systems AB, AB ±, and AB ∗ will appear in a future issue are included.

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