ArticleFrontiers in chemistry2021
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules.
Article in Frontiers in chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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19 citing papers in PubMed.
- Connection betweenJournal of chemical theory and computation · 2026Article
- Transfer learning of GW Bethe-Salpeter equation excitation energies.Chemical science · 2026Article
- qsGW quasiparticle and GW-BSE excitation energies of 133,885 molecules.Scientific data · 2026Article
- WhichRSC advances · 2026Article
- GW Approximation Coupled with Classical Fluctuating Charges and Dipoles.Journal of chemical theory and computation · 2026Article
- Self-ConsistentJournal of chemical theory and computation · 2025Article
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- Reference Energies for Valence Ionizations and Satellite Transitions.Journal of chemical theory and computation · 2024Article
- Quantum Biology and the Potential Role of Entanglement and Tunneling in Non-Targeted Effects of Ionizing Radiation: A Review and Proposed Model.International journal of molecular sciences · 2023Review
- koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals.Journal of chemical theory and computation · 2023Article
- Two-ComponentJournal of chemical theory and computation · 2023Article
- Accelerating Core-LevelJournal of chemical theory and computation · 2023Article
- A Similarity Renormalization Group Approach to Green's Function Methods.Journal of chemical theory and computation · 2023Article
- Energy Component Analysis for Electronically Excited States of Molecules: Why the Lowest Excited State Is Not Always the HOMO/LUMO Transition.Journal of chemical theory and computation · 2023Article
- Benchmark ofJournal of chemical theory and computation · 2022Article
- Combining Renormalized SinglesJournal of chemical theory and computation · 2022Article
- Numerically Precise Benchmark of Many-Body Self-Energies on Spherical Atoms.Journal of chemical theory and computation · 2022Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We use the GW100 benchmark set to systematically judge the quality of several perturbation theories against high-level quantum chemistry methods. First of all, we revisit the reference CCSD(T) ionization potentials for this popular benchmark set and establish a revised set of CCSD(T) results. Then, for all of these 100 molecules, we calculate the HOMO energy within second and third-order perturbation theory (PT2 and PT3), and,
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