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Quasirel- ativistic theory equivalent to fully relativistic 7 theory,

Werner Kutzelnigg, Wenjian Liu, “Quasirelativistic theory equivalent to fully relativistic 7 theory,” The Journal of Chemical Physics123, 241102 ( · 2005 · DOI 10.1063/1.2137315/13513393/241102

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physics.chem-ph 1

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2026 1

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Spin-Adapted TDDFT

physics.chem-ph · 2026-05-19 · unverdicted · novelty 5.0

Spin-adapted TDDFT is formulated from tensor EOM RPA with Wigner-Eckart decoupling and hybrid functionals to restore spin degeneracy, demonstrated via benchmarks on Cr2 and phenol O-H intersections.

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  • Spin-Adapted TDDFT physics.chem-ph · 2026-05-19 · unverdicted · none · ref 34

    Spin-adapted TDDFT is formulated from tensor EOM RPA with Wigner-Eckart decoupling and hybrid functionals to restore spin degeneracy, demonstrated via benchmarks on Cr2 and phenol O-H intersections.