The Schrödinger Equation with Power Potentials: Exactly-Solvable Problems

Karwowski, Jacek; Witek, Henryk A.

doi:10.1007/978-3-030-68314-6_3

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2022

2024

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“…We found in our examples that the results degrade significantly for μ between 0 and 0.5–1 bohr –1 . One explanation of this effect can be found in ref .…”

Section: Summary and Perspectivesmentioning

confidence: 90%

Long-Range Configuration Interaction with an Ab Initio Short-Range Correction and an Asymptotic Lower Bound

Scemama,

Savin

2024

J. Phys. Chem. A

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Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to harmonium (with two to six electrons for some low-lying states). No fitting to reference data is used, and the method is applicable to ground and excited states. The formulas derived are rigorous when the physical interaction is approached. In this regime, the second-order expression provides a lower bound to the long-range full configuration interaction energy. A long-range/short-range separation of the interaction between electrons at a distance of the order of one atomic unit provides total energies within chemical accuracy, and, for the systems studied, provide better results than short-range density functional approximations.

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“…We found in our examples that the results degrade significantly for μ between 0 and 0.5–1 bohr –1 . One explanation of this effect can be found in ref .…”

Section: Summary and Perspectivesmentioning

confidence: 90%