How large is the effect of 1s correlation on the De, ωe, and re of N2?
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.466315
Reference19 articles.
1. Accurate multireference configuration interaction calculations of the potential energy function and the dissociation energy of N2
2. The impact of higher polarization basis functions on molecular ab initio results. I. The ground state of F2
3. The impact of higher polarization basis functions on molecular AB initio results II. The ground states of CO, N2, O2, and F2
4. An efficient internally contracted multiconfiguration–reference configuration interaction method
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