The superposition of the wavefunctions centered on the nuclei and the floating wavefunctions for the ground state of the hydrogen molecule |
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| Affiliation: | 1. Department of Mechanical and Aerospace Engineering, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106, USA;2. Department of Material Science, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106, USA |
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| Abstract: | It is shown that the superposition of wavefunctions centered on the nuclei and floating wavefunctions represents the distribution of the electronic charge along the molecular axis in the ground state of the hydrogen molecule more accurately than either of these two functions separately. The mean-square values of electronic coordinates are calculated. |
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