Ground-state energy calculation on Small molecules
-113.3255Ground-state energy (Ha)CCSD(T)/ CBS
Evaluation results
| Method | Links | |
|---|---|---|
| CCSD(T)/ CBSSystem=CO2022.05 | -113.3255 | |
| DeepErwinSystem=CO, Epochs=100k2022.05 | -113.3242 | |
| DeepErwinSystem=CO, Epochs=50k2022.05 | -113.3239 | |
| FermiNet VMCSystem=CO2022.05 | -113.3218 | |
| CCSD(T)/ CBSSystem=N2, d = 2.0682022.05 | -109.5425 | |
| FermiNet DMCSystem=N2, d = 2.0682022.05 | -109.5416 | |
| DeepErwinSystem=N2, d = 2.068, Epochs=100k2022.05 | -109.5414 | |
| DeepErwinSystem=N2, d = 2.068, Epochs=50k2022.05 | -109.5408 | |
| CCSD(T)/ CBSSystem=Ethene2022.05 | -78.5888 | |
| DeepErwinSystem=Ethene, Epochs=100k2022.05 | -78.5871 | |
| DeepErwinSystem=Ethene, Epochs=50k2022.05 | -78.5868 | |
| FermiNet VMCSystem=Ethene2022.05 | -78.5844 | |
| DeepErwinSystem=H2O, Epochs=50k2022.05 | -76.4382 | |
| DeepErwinSystem=H2O, Epochs=100k2022.05 | -76.4382 | |
| experimentSystem=H2O2022.05 | -76.4376 | |
| Diffusion Monte CarloSystem=H2O2022.05 | -76.4368 | |
| CCSD(T)/ CBSSystem=NH32022.05 | -56.5644 | |
| DeepErwinSystem=NH3, Epochs=100k2022.05 | -56.5638 | |
| DeepErwinSystem=NH3, Epochs=50k2022.05 | -56.5635 | |
| FermiNet VMCSystem=NH32022.05 | -56.563 |