Abstract
Valence bond wavefunctions were constructed for H2. Use of Slater exponents resulted in very slow convergence to the ground state energy. Convergence was improved by optimizing exponents which were found to increase as the principal quantum number n. However, this gave problems of linear dependence since optimum orbitals were strikingly similar for all n. The best function without angular correlation contained 27 terms constructed from 1s, 3s, 2p0, 3d0, 4f0, and 5g0 orbitals and gave an energy of −1.1594a.u. The best function with angular correlation gave E=-1.1656 a.u.
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