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20162026
most citedExact two-component TDDFT with simple two-electron picture-change corrections: X-ray absorption spectra near L- and M-edges of four-component quality at two-component cost

18 citations · 28 across the 5 of their papers we have counts for

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physics.chem-ph2026

Biquaternion Algebra with Bilinear Multiplication: A General, Elegant, and Computationally Advantageous Framework for Relativistic Electronic Structure Calculations on CPUs and GPUs

Sylvia Kaviraj, Stanislav Komorovsky, Trond Saue +1

Quaternion algebra provides a natural representation of time-reversal-symmetric matrix structures in relativistic electronic-structure theory, whereas complementary time-reversal-a…