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This is a Quantitative Study study.

October 8, 2025Open Access

A reduced cost equation of motion coupled cluster method for excited states based on state-specific natural orbitals: Theory, Implementation, Benchmark

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This new method shows significant reductions in computational demands for excited states, highlighting its accuracy and efficiency.

The method maintains high accuracy while reducing computational costs through a new framework.
Benchmarking showed mean absolute deviations typically below 0.02 eV from canonical results.
Adjustable thresholds allow systematic control over truncation errors in virtual spaces.
Testing included performance evaluations for CIS(D) and ADC(2) methods generating natural orbitals.

Manna et al. (2025) studied this question.

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