Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree–Fock Gaussian Basis Set Ground State
Fabio Della Sala, Fulvio Sarcinella, Lucian A. Constantin, Lorenzo Donà, Eduardo Fabiano, Lorenzo Maschio, Bartolomeo Civalleri · 2026
Read Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree–Fock Gaussian Basis Set Ground State by Fabio Della Sala, Fulvio Sarcinella, Lucian A. Constantin, Lorenzo Donà, Eduardo Fabiano, Lorenzo Maschio, Bartolomeo Civalleri (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/PMC13312454.txt.
Description
Fabio Della Sala and colleagues present a 2026 study testing adiabatic connection methods for finding correlation energy in real metals. These methods blend perturbation theory with density functionals built for strongly interacting electrons. They have worked well for molecules, but in metals the perturbation term blows up, so their value for solids, including transition metals, was unknown.
Working from Hartree-Fock ground states built with tuned Gaussian basis sets, the team tried several variants and set lattice constants, cohesive energies, and correlation energies against trusted values. Only one pairing, the density parameter interpolation approach with a strong-interaction functional matching the exact Wigner crystal model, gave the correct gradient coefficient. That variant matched the best density functional methods on lattice constants and bulk correlation energies, and its cohesive energies matched well on their own.
Catalog record
| CREATOR | Fabio Della Sala, Fulvio Sarcinella, Lucian A. Constantin, Lorenzo Donà, Eduardo Fabiano, Lorenzo Maschio, Bartolomeo Civalleri |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 44409 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |