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the claim

Complete active space methods define active spaces by selecting specific electrons and orbitals.

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

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Is it true that complete active space methods define active spaces by selecting specific electrons and orbitals?

Yes. Complete active space methods in quantum chemistry define active spaces by explicitly selecting specific sets of electrons and molecular orbitals.

Verdict: SUPPORTED · 4 sources for, 0 against · Last checked

The analysis

The retrieved quantum chemistry papers consistently describe complete active space (CAS) methods—such as CASSCF, CASCI, and DMRG—as being defined by partitioning the molecular system into specific numbers of active electrons and active orbitals.

Evidence for · 4
Mixed-Precision <i>Ab Initio</i> Tensor Network State Methods Adapted for NVIDIA Blackwell Technology via Emulated FP64 Arithmetic.
2026
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C, B., S, R. B., J, H., J, G., SS, X., M, G., A, M., & Ö, L. (2026). Mixed-Precision <i>Ab Initio</i> Tensor Network State Methods Adapted for NVIDIA Blackwell Technology via Emulated FP64 Arithmetic.. doi.org. https://doi.org/10.1021/acs.jctc.6c00203

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More for · 3
Cavity quantum electrodynamics complete active space self consistent field theory
2025
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Vu, N., Ampoh, K., & Foley, J. (2025). Cavity quantum electrodynamics complete active space self consistent field theory. doi.org. https://doi.org/10.26434/chemrxiv-2025-q6rfm

Automated Active Space Selection with CASCI Dipole Moments.
2026
Get citation
BW, K. & SS, D. (2026). Automated Active Space Selection with CASCI Dipole Moments.. doi.org. https://doi.org/10.1021/acs.jctc.6c00473

Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys.
2026
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P, H., Z, W., & EA, C. (2026). Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys.. doi.org. https://doi.org/10.1021/acs.jctc.5c02119

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What does the evidence say?

The retrieved quantum chemistry papers consistently describe complete active space (CAS) methods—such as CASSCF, CASCI, and DMRG—as being defined by partitioning the molecular system into specific numbers of active electrons and active orbitals.

Receipt History
first checked04 Aug 2026
judged → SUPPORTED · 7704 Aug 2026
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