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http://dx.doi.org/10.5012/bkcs.2013.34.11.3279

A Variant of the Brillouin-Wigner Perturbation Theory with Epstein-Nesbet Partitioning  

Lee, Sangyoub (Department of Chemistry, Seoul National University)
Choi, Cheol Ho (Department of Chemistry, Kyungpook National University)
Kim, Eunji (Department of Chemistry, Seoul National University)
Choi, Young Kyun (Department of Chemistry, Seoul National University)
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Abstract
We present an elementary pedagogical derivation of the Brillouin-Wigner and the Rayleigh-Schr$\ddot{o}$dinger perturbation theories with Epstein-Nesbet partitioning. A variant of the Brillouin-Wigner perturbation theory is also introduced, which can be easily extended to the quasi-degenerate case. A main advantage of the new theory is that the computing time required for obtaining the successive higher-order results is minimal after the third-order calculation. We illustrate the accuracy of the new perturbation theory for some simple model systems like the perturbed harmonic oscillator and the particle in a box.
Keywords
Perturbation theory;
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