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the claim

Large basis sets provide better approximations to the Schrödinger equation by offering more variational freedom

the verdict
SUPPORTED
the evidence backs this
Recorded sources
8 sources for · 0 against

Counts group repeated records of the same source within each side. They do not measure evidence strength or source independence.

Is it true that large basis sets provide better approximations to the Schrödinger equation by offering more variational freedom?

Yes. Quantum chemistry and physics literature consistently confirm that larger basis sets reduce basis set incompleteness error and provide better, more accurate approximations when solving the Schrödinger equation.

Verdict: SUPPORTED · 8 sources for, 0 against · Last checked

The analysis

Judged against the evidence record for claims of this kind.

Evidence for · 8
Wikipedia: Schrödinger equation
Reference article covering this claim directly
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Wikipedia: Schrödinger equation. (n.d.). Wikipedia. https://en.wikipedia.org/wiki/Schr%C3%B6dinger_equation

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More for · 7
OpenAIRE: Physically-constrained machine learning models of effective electronic Hamiltonians
2025
Notes that accurate solutions of the Schrödinger equation require large basis sets.
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OpenAIRE: Physically-constrained machine learning models of effective electronic Hamiltonians. (2025). OpenAIRE. https://doi.org/10.5075/epfl-thesis-11666

INSPIRE-HEP: Improving the Qubit-Efficiency of Quantum Algorithms for the Electronic Structure Problem Using Orbital Optimization
2024
Discusses basis set truncation error in solving the Schrödinger equation for electronic structure.
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Joel, B. (2024). INSPIRE-HEP: Improving the Qubit-Efficiency of Quantum Algorithms for the Electronic Structure Problem Using Orbital Optimization. INSPIRE-HEP. https://inspirehep.net/literature/2795822

NASA Technical Reports Server: Computing Highly Accurate Spectroscopic Line Lists for Characterization of Planetary Atmospheres: CO2 and SO2 Line Lists Needed for Modeling Venus
2019
Uses variational methods and quantum chemistry methods to solve the nuclear Schrödinger equation.
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J., L. T., Xinchuan, H., & W., S. D. (2019). NASA Technical Reports Server: Computing Highly Accurate Spectroscopic Line Lists for Characterization of Planetary Atmospheres: CO2 and SO2 Line Lists Needed for Modeling Venus. NASA Technical Reports Server. https://ntrs.nasa.gov/citations/20180007941

OSTI: Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction
2025
Explains systematic improvement and amelioration of basis sets to solve the Schrödinger equation.
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(ORCID:0009000791948786), H. J. [. o. M. A. A. M. (. S., (ORCID:0000000224926962), R. A. E. [. o. M. A. A. M. (. S., (ORCID:0000000175300540), D. D. [. o. M. A. A. M. (. S., & (ORCID:0000000274441314), Z. P. M. [. o. M. A. A. M. (. S. (2025). OSTI: Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction. OSTI. https://doi.org/10.1021/acs.jpca.5c01521

Communications: Intramolecular basis set superposition error as a measure of basis set incompleteness: Can one reach the basis set limit without extrapolation?
2010
Addresses basis set incompleteness and convergence toward the limit in solving the electronic Schrödinger equation.
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Balabin, R. M. (2010). Communications: Intramolecular basis set superposition error as a measure of basis set incompleteness: Can one reach the basis set limit without extrapolation?. peer-reviewed literature. https://doi.org/10.1063/1.3430647

Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors.
2021
Shows systematic improvement toward the basis set limit using large uncontracted GTO basis sets.
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J, L., X, F., LA, C., JF, G., E, E., & M, H. (2021). Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors.. peer-reviewed literature. https://doi.org/10.1063/5.0069177

Multireference exciplex binding energies: Basis set convergence and error
2018
Demonstrates basis set convergence and the importance of basis set size in multireference methods.
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Krueger, R. A. & Blanquart, G. (2018). Multireference exciplex binding energies: Basis set convergence and error. peer-reviewed literature. https://doi.org/10.1002/qua.25819

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first checked05 Aug 2026
judged → SUPPORTED · 8405 Aug 2026
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