Molecular Schrödinger Equation. VI. Results for H3 and Other Simple Systems

Abstract
The results of calculations on the ground state of the H3 system are presented, and potential‐energy surfaces are constructed for the linear and isosceles triangular configurations. The path of minimum energy along these surfaces for the H+H2→H2+H reaction passes through a maximum 7.74 kcal above the reactants at a linear symmetric configuration with an H–H separation of 1.76 bohrs. Calculations on the ground states of He2+, He2++, the lowest 1Π state of equilateral triangular H3+, and a number of one‐electron states of H3++ and He2+++ are also summarized.

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