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Chun Li, Liming Wang and Zong-Chao Yan Recursion relations for the three-electron subsidiary integral W (l, m, n; α, β, γ) International Journal of Quantum Chemistry 113

Article first published online: 17 JUL 2012 | DOI: 10.1002/qua.24284

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The subsidiary integral W(l, m, n; α, β, γ) is a key integral that appears in the variational calculation of a three-electron atomic system using Hylleraas coordinates. For the case where the ratio α/(α + β + γ) is not close to 1, the W integral can be calculated by an infinite series which converges very fast. For the case where the ratio α/(α + β + γ) is close to 1, it can be expressed in terms of either a finite series or a finite recursion relation.

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