NASA NTRS · 19810050880
The B/K/ method - Application to methylene
Abstract
The B(K) method is compared with conventional Configuration Interaction (CI) and other perturbation methods for the 3B1 and 1A1 states of methylene. Use of Rayleigh-Schroedinger perturbation theory for construction of an effective Hamiltonian is seen to be more accurate for estimating the full CI energy limit.
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Davidson, E. R., Mcmurchie, L. E., Day, S. J.. 1981-05-15. The B/K/ method - Application to methylene. https://ntrs.nasa.gov/citations/19810050880
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