A NOTE ON THE VARIATION-PERTURBATION METHOD FOR EXCITED STATES.
MALLINCKRODT CHEMICAL LAB HARVARD UNIV CAMBRIDGE MASS
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Sinanoglu has shown that the variation-perturbation method yields an upper bound to the second-order perturbation energy for an excited state if the form of the trial function is suitably restricted. It is shown that the restriction on the trial function can in principle be relaxed from the one specified by Sinanoglu. From this more general form of the constraint it is easy to see why approximate calculations that impose no restrictions at all on the trial function are very likely to give a second-order perturbation energy which lies above the true value. Author
- Physical Chemistry
- Quantum Theory and Relativity