Abstract
Rayleigh-Schrödinger perturbation theory has been used through second order to obtain an analytic representation for the ground-state wavefunction of H2+. Values of the electronic energy and other molecular properties computed with this approximate wavefunction are compared with the corresponding exact values, and they demonstrate its high accuracy.
Original language | English |
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Pages (from-to) | 102-106 |
Number of pages | 5 |
Journal | The Journal of Chemical Physics |
Volume | 52 |
Issue number | 1 |
DOIs | |
State | Published - 1970 |
Externally published | Yes |