Equilibrium quantum many-body methods are encoders from admissible states to represented variables, with exact decoders existing precisely when tasks are constant on encoder fibers.
David Mermin
7 Pith papers cite this work. Polarity classification is still indexing.
citation-role summary
citation-polarity summary
years
2026 7roles
background 2polarities
background 2representative citing papers
ALF is a new function derived from the ideal free energy in MDFT that quantifies local angular order of solvent molecules, providing complementary information to polarization and charge density.
Archê implements accelerated SCF in OFMD to generate plasma EOS with linear scaling and GPU speedup, validated on aluminum against Abinit after adding a pseudopotential correction from an average-atom model.
The paper establishes an exact N-centered ensemble DFT formalism unifying neutral and charged excitations and introduces three practical strategies: weight-dependent scaling of ground-state functionals, quasi-degenerate ensemble perturbation theory, and quantum bath embedding for excited states.
i-DFT computes spectral and transmission properties of correlated quantum dots from Coulomb blockade to Kondo regimes, matching many-body results at reduced cost.
Ab initio calculations show that vacancy formation Gibbs energies in B2 MoTa drop much more steeply for Ta-site vacancies (2.1 eV) than Mo-site vacancies (1.1 eV) from 0 to 3000 K due to quasiharmonic and anharmonic vibrational effects.
Transition path sampling serves as an active learning engine to build machine-learned potentials accurate in barrier regions, enabling discovery of multiple protonation mechanisms in CO2 reduction on copper.
citing papers explorer
-
Arch\^e, an orbital-free molecular dynamics code for fast production of equations of state
Archê implements accelerated SCF in OFMD to generate plasma EOS with linear scaling and GPU speedup, validated on aluminum against Abinit after adding a pseudopotential correction from an average-atom model.