18 citations · 28 across the 5 of their papers we have counts for
5 papers
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…
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
Michal Repisky, Stanislav Komorovsky, Lukas Konecny +9
Since its inception, the ReSpect program has been evolving to provide powerful tools for simulating spectroscopic processes and exploring emerging research areas, all while incorpo…
The existence and unambiguity of the principal axis system of the EPR tensors
Stanislav Komorovsky
Although the role of the electron paramagnetic resonance (EPR) g-tensor and hyperfine coupling tensor in the EPR effective spin Hamiltonian is discussed extensively in many textboo…
Exact 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
Lukas Konecny, Stanislav Komorovsky, Jan Vicha +2
X-ray absorption spectroscopy (XAS) has gained popularity in recent years as it probes matter with high spatial and elemental sensitivity. However, the theoretical modelling of XAS…
New quantum number for the many-electron Dirac-Coulomb Hamiltonian
Stanislav Komorovsky, Michal Repisky, Lukáš Bučinský
By breaking the spin symmetry in the relativistic domain, a powerful tool in physical sciences was lost. In this work, we examine an alternative of spin symmetry for systems descri…