Self Consistent Field Equations for H2 And H3

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Self Consistent Field Equations for H2 And H3
Ernest Bauer
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)= l/r, j (5. U) W - H - E, where (U. 7) E - (T, H T) - 3K^ 1^(1 +K^TT )(Hp+ 2H^+ Vp+ 2W^) TT permutes a, b, £ cyclically, and K is a constant given by the condition (U. 3) as follows (5. 5) (¥, T) = 3K^ [d+K^TT )(FF)+ 2K(FG)j -1, where the scalar scalar products (FF) and (FG) are given by equations (8. 3) and (8. 5). The Q . , contain three constants N, N, ,N which are determined from the ^ ij a' b' c subsidiary conditions (3. U).
- 9 - 6. Discussion 6. ] How general is the wave function Y ?
T
...his point is discussed in section 1 (see the footnote on p. 2 ). T, as given by the self-consistent field method, is the best powwible wave function that can be obtained as one antisjTtimetrized product of one-electron wave functions; these functions are chosen so that the space symmetry of the problem as a whole is taken into account (to this end we use Y, and Y^ or the factor >t ) . An exact result could be obtained either by taking an infinite set of such Y functions, or by letting the individual a, b, c functions depend on the coordinates of all the particles in an arbitrary way.

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