Computation of the second-order correlation energies of Ne using a finite-element method
- 1 November 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 46 (9) , 6063-6066
- https://doi.org/10.1103/physreva.46.6063
Abstract
A p-version finite-element method is applied within the Moller-Plesset formalism [Phys. Rev. 46, 618 (1934)] to calculate accurate second-order pair and total correlation energies. Radial limits of the second-order correlation energy up to l=12 are given, and careful angular-extrapolation procedures have been applied to obtain results which are expected to be accurate to ±2× hartree.
Keywords
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