论文信息 - Forces in Molecules. II. A Differential Equation for the Potential‐Energy Function

Forces in Molecules. II. A Differential Equation for the Potential‐Energy Function

A second‐order, linear, homogeneous, differential equation for the diatomic molecular potential‐energy function, Un(R), is derived. Several aspects of this equation are studied in detail. The solutions of an approximate form of the equation suggest an empirical function that slowly oscillates in the complete interval 0≤R≤∞. This function is fit about the optimum minimum for 23 molecules. An approximate differential equation is derived for the function gij(R)≡Ui(R)—Uj(R), where Ui and Uj are any two potential‐energy curves for different electronic states. This equation is valid in an interval for which gij is small—that is, for near degeneracies. An application to two states of H2+ is given.

W. L. Clinton

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