# Atomic and excitation energy prediction on Beryllium NIST ASD Source: [Atomic and excitation energy prediction on Beryllium NIST ASD]() Collection index: [llms.txt]() Data updated: 2026-03-17T10:20:52.655Z Evaluation of models on predicting atomic and excitation energies using the Beryllium NIST ASD dataset, measured by absolute energy in Hartrees (Ha) and various energy error metrics. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Atomic and excitation energy prediction | | Dataset (including any stated split) | Beryllium NIST ASD | | Metric | Absolute Energy (Ha) | | Unit | SCALAR | | Direction | Higher is better | | Results loaded | 33 of 33 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [Absolute Energy (Ha)](): Higher is better; unit: SCALAR. - [Energy Difference (ΔE) (Ha)](): Lower is better; unit: SCALAR. - [Experimental Energy Difference (ΔEexp) (Ha)](): Lower is better; unit: SCALAR. - [Double Energy Difference (ΔΔEexp) (Ha)](): Lower is better; unit: SCALAR. ## Recorded results | Method | Absolute Energy (Ha) | Result date | Report paper | | --- | --- | --- | --- | | Excited Pfaffians | -14.37377 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.37382 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.37388 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.3739 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.37392 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.38457 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.38457 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.38461 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.38462 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.38462 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39323 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39329 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.3933 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39546 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39547 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39549 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39907 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39914 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.39924 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.40815 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.40818 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.40819 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.40822 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.40822 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.41846 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.43005 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.473 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.47327 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.47333 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.56706 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.56707 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.56714 | Not recorded | 69b8e01b0636e5bf4afbeb40 | | Excited Pfaffians | -14.66719 | Not recorded | 69b8e01b0636e5bf4afbeb40 | ### Excited Pfaffians Absolute Energy (Ha): -14.37377. Result ID: 69b92ad047f34ce924a27673. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"32"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.37382. Result ID: 69b92ad047f34ce924a27672. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"31"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.37388. Result ID: 69b92ad047f34ce924a27671. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"30"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.3739. Result ID: 69b92ad047f34ce924a27670. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"29"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.37392. Result ID: 69b92ad047f34ce924a2766f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"28"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.38457. Result ID: 69b92ad047f34ce924a2766d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"26"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.38457. Result ID: 69b92ad047f34ce924a2766e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"27"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.38461. Result ID: 69b92ad047f34ce924a2766c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"25"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.38462. Result ID: 69b92ad047f34ce924a2766a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"23"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.38462. Result ID: 69b92ad047f34ce924a2766b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"24"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39323. Result ID: 69b92ad047f34ce924a27669. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"22"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39329. Result ID: 69b92ad047f34ce924a27668. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"21"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.3933. Result ID: 69b92ad047f34ce924a27667. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"20"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39546. Result ID: 69b92ad047f34ce924a27666. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"19"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39547. Result ID: 69b92ad047f34ce924a27665. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"18"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39549. Result ID: 69b92ad047f34ce924a27664. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"17"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39907. Result ID: 69b92ad047f34ce924a27663. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"16"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39914. Result ID: 69b92ad047f34ce924a27662. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"15"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.39924. Result ID: 69b92ad047f34ce924a27661. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"14"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.40815. Result ID: 69b92ad047f34ce924a27660. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"13"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.40818. Result ID: 69b92ad047f34ce924a2765f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"12"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.40819. Result ID: 69b92ad047f34ce924a2765e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"11"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.40822. Result ID: 69b92ad047f34ce924a2765c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"9"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.40822. Result ID: 69b92ad047f34ce924a2765d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"10"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.41846. Result ID: 69b92ad047f34ce924a2765b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"8"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.43005. Result ID: 69b92ad047f34ce924a2765a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"7"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.473. Result ID: 69b92ad047f34ce924a27659. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"6"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.47327. Result ID: 69b92ad047f34ce924a27658. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"5"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.47333. Result ID: 69b92ad047f34ce924a27657. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"4"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.56706. Result ID: 69b92ad047f34ce924a27656. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"3"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.56707. Result ID: 69b92ad047f34ce924a27655. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"2"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.56714. Result ID: 69b92ad047f34ce924a27654. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"1"}. This record does not assert independent reproduction. ### Excited Pfaffians Absolute Energy (Ha): -14.66719. Result ID: 69b92ad047f34ce924a27653. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"State":"0"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.