Research graph
References from Stable and transferable exchange–correlation potentials via machine-learned density-independent mapping. Local targets link to admitted publications; unresolved targets remain external evidence.
Nobel Lecture: Electronic structure of matter—Wave functions and density functionals
10.1103/revmodphys.71.1253 · 1999 · External reference
Self-consistent equations including exchange and correlation effects
10.1103/physrev.140.a1133 · 1965 · External reference
Accurate and simple analytic representation of the electron-gas correlation energy
10.1103/physrevb.45.13244 · 1992 · External reference
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
10.1103/physrevb.33.8800 · 1986 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · 1988 · External reference
Strongly constrained and appropriately normed semilocal density functional
10.1103/physrevlett.115.036402 · 2015 · External reference
Accurate and numerically efficient r2SCAN meta-generalized gradient approximation
10.1021/acs.jpclett.0c02405 · 2020 · External reference
Nonlocal van der Waals density functional: The simpler the better
10.1063/1.3521275 · 2010 · External reference
Versatile van der waals density functional based on a meta-generalized gradient approximation
10.1103/physrevx.6.041005 · 2016 · External reference
Density-functional thermochemistry. III. The role of exact exchange
10.1063/1.464913 · 1993 · External reference
Toward reliable density functional methods without adjustable parameters: The PBE0 model
10.1063/1.478522 · 1999 · External reference
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
10.1021/j100096a001 · 1994 · External reference
Semiempirical hybrid density functional with perturbative second-order correlation
10.1063/1.2148954 · 2006 · External reference
Thirty years of density functional theory in computational chemistry: An overview and extensive assessment of 200 density functionals
10.1080/00268976.2017.1333644 · 2017 · External reference
DFT exchange: Sharing perspectives on the workhorse of quantum chemistry and materials science
10.1039/d2cp02827a · 2022 · External reference
Jacob’s ladder of density functional approximations for the exchange-correlation energy
10.1063/1.1390175 · 2001 · External reference
Unresolved reference
External reference
Pushing the frontiers of density functionals by solving the fractional electron problem
10.1126/science.abj6511 · 2021 · External reference
Learning the exchange-correlation functional from nature with fully differentiable density functional theory
10.1103/physrevlett.127.126403 · 2021 · External reference
Learning local and semi-local density functionals from exact exchange-correlation potentials and energies
10.1126/sciadv.ady8962 · 2025 · External reference
Kohn–Sham equations as regularizer: Building prior knowledge into machine-learned physics
10.1103/physrevlett.126.036401 · 2021 · External reference
Pure non-local machine-learned density functional theory for electron correlation
10.1038/s41467-020-20471-y · 2021 · External reference
How well does Kohn–Sham regularizer work for weakly correlated systems?
10.1021/acs.jpclett.2c00371 · 2022 · External reference
Machine learning accurate exchange and correlation functionals of the electronic density
10.1038/s41467-020-17265-7 · 2020 · External reference
Completing density functional theory by machine learning hidden messages from molecules
10.1038/s41524-020-0310-0 · 2020 · External reference
CIDER: An expressive, nonlocal feature set for machine learning density functionals with exact constraints
10.1021/acs.jctc.1c00904 · 2022 · External reference
Nonlocal machine-learned exchange functional for molecules and solids
10.1103/physrevb.110.075130 · 2024 · External reference
Real-space machine learning of correlation density functionals
10.1038/s41467-025-66450-z · 2025 · External reference
Neural-network Kohn–Sham exchange-correlation potential and its out-of-training transferability
10.1063/1.5029279 · 2018 · External reference
Bypassing the Kohn–Sham equations with machine learning
10.1038/s41467-017-00839-3 · 2017 · External reference
Machine learning electronic structure methods based on the one-electron reduced density matrix
10.1038/s41467-023-41953-9 · 2023 · External reference
Machine learning of electronic structure and atomistic properties from the external potential
10.1063/5.0332678 · 2026 · External reference
Generalized Kohn–Sham schemes and the band-gap problem
10.1103/physrevb.53.3764 · 1996 · External reference
A simplification of the Hartree–Fock method
10.1103/physrev.81.385 · 1951 · External reference
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
10.1139/p80-159 · 1980 · External reference
Development of the Colle–Salvetti correlation-energy formula into a functional of the electron density
10.1103/physrevb.37.785 · 1988 · External reference
PySCF: The Python-based simulations of chemistry framework
10.1002/wcms.1340 · 2018 · External reference
Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules
10.1063/1.1674902 · 1971 · External reference
Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules
10.1063/1.1677527 · 1972 · External reference
An object-oriented scripting interface to a legacy electronic structure code
10.1109/5992.998641 · 2002 · External reference
Unresolved reference
External reference
A time-dependent random state approach for large-scale density functional calculations
10.1088/0256-307x/40/2/027101 · 2023 · External reference
