Variational free complement method with Gaussian-expanded complement functions: convergence with fixed Gaussian expansion length

Cong Wang

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arXiv · 2606.01535

Variational free complement method with Gaussian-expanded complement functions: convergence with fixed Gaussian expansion length

Cong Wang

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Abstract

For the free complement theory with Gaussian-expanded complement functions, the energy convergence of $n_\mathrm{G} = \mathrm{constant} < \infty, n\rightarrow\infty$ is discussed, where $n_\mathrm{G}$ is the number of the Gaussian functions in the STO-$n$G expansion.

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Cong Wang. 2026-06-01. Variational free complement method with Gaussian-expanded complement functions: convergence with fixed Gaussian expansion length. https://arxiv.org/abs/2606.01535

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