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Ground-state energy calculation research benchmarks · SOTA2 Research

Ground-state energy calculation

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

Small molecules

-113.326Ground-state energy (Ha)

20

Feb 26, 2026

-527.542Ground-state energy (Ha)

15

Feb 26, 2026

CAS + experimental corrections

-128.938Ground-state Energy (Ha)

12

Feb 26, 2026

Larger molecules

-284.433Ground-state Energy (Ha)

10

Feb 26, 2026

-1,263.65Ground-state energy (Ha)

8

Feb 26, 2026

Popular datasets

2nd row atoms 3rd row atoms 4th row atoms Small molecules Molecules

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