Derives a locally exact relation between collinear and noncollinear semilocal XC functionals at gradient expansion level via u(2) representation and SU(2) rotations, with Scalmani-Frisch as first-order case.
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2026 1verdicts
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Rigorous extension of semilocal collinear functionals to noncollinear DFT using $SU(2)$ rotations
Derives a locally exact relation between collinear and noncollinear semilocal XC functionals at gradient expansion level via u(2) representation and SU(2) rotations, with Scalmani-Frisch as first-order case.