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The adiabatic correction to molecular potential surfaces in the SCF approximation |
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| Authors: | Harrell Sellers Peter Pulay |
| Institution: | Department of Chemistry, Louisiana Tech University, Ruston, Louisiana 71272, USA;Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701. USA |
| Abstract: | Formulas for the adiabatic correction to the potential energy in the SCF approximation are derived in a density matrix form. |
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