Abstract
A method is developed for the solution of the wave equation for two electrons in the presence of two centres. The work of Lennard-Jones & Pople (1951) on the ground state of such a system is generalized so as to apply to all the excited states. Full advantage is taken of the symmetry properties of the wave functions, both in three-dimensional and six-dimensional space, to reduce the wave equation to a number of component parts, each of a particular symmetry type. This leads to sets of equations with characteristic symmetry properties appropriate to singlet states and triplet states, whether even or odd, positive or negative in the standard notation (1∑-g).
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Schedule a callMore From: Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
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