The B K method: Application to methylene
- 15 May 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (10) , 5491-5496
- https://doi.org/10.1063/1.440954
Abstract
The BK method is compared with conventional CI and other perturbation methods for the 3B1 and 1A1 states of methylene. Use of Rayleigh–Schrödinger perturbation theory for construction of an effective Hamiltonian is seen to be more accurate for estimating the full CI energy limit.Keywords
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