TDΔSCF performs TDDFT linear response on a non-Aufbau ΔSCF reference to describe near-degenerate singlet states with less functional sensitivity and fewer spurious states than collinear SF-TDDFT.
Title resolution pending
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
citation-role summary
background 2
citation-polarity summary
verdicts
UNVERDICTED 2roles
background 2representative citing papers
r²SCANY@r²SCANX uses distinct exact-exchange fractions for density (X) and energy (Y) to reduce self-interaction errors and improve band gaps, magnetic moments, and oxidation energies in 20 strongly correlated transition-metal oxides over r²SCAN and DFT+U.
citing papers explorer
-
TD$\Delta$SCF: Time-Dependent Density Functional Theory with a Non-Aufbau Reference for near-degenerate states
TDΔSCF performs TDDFT linear response on a non-Aufbau ΔSCF reference to describe near-degenerate singlet states with less functional sensitivity and fewer spurious states than collinear SF-TDDFT.
-
Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density
r²SCANY@r²SCANX uses distinct exact-exchange fractions for density (X) and energy (Y) to reduce self-interaction errors and improve band gaps, magnetic moments, and oxidation energies in 20 strongly correlated transition-metal oxides over r²SCAN and DFT+U.