4 papers
X2C-inspired approximation of the Dirac coupling operator in a multiwavelet basis
Quentin Pitteloud, Jacopo Masotti, Luca Frediani
We present a method to obtain the proven exact 2-component (X2C) method, normally applied to Gaussian-type fixed Hilbert bases, in an adaptative non-uniform grid basis of the Hilbe…
Spinorial Weyl Operator Reduction of Dirac (SWORD): Exact Relativistic Quantum Chemistry with Half the Spinor
Jacopo Masotti, Quentin Pitteloud, Luca Frediani
We present an exact self-consistent two-component reformulation of the Dirac equation in the Weyl representation. By exploiting the diagonal structure of the kinetic operator and t…
Quaternionic superconductivity links spinful pairing, topology, and charge- order
Christian Tantardini, Jacopo Masotti, Sabri F. Elatresh +1
We present a unified theoretical description of spinful superconductivity that combines singlet and triplet pairing within a complexified quaternion order parameter. The formulatio…
Four-component relativistic calculations in a multiwavelet basis with improved convergence
Jacopo Masotti, Roberto Di Remigio Eikås, Christian Tantardini +1
We revive an approach to solve the Dirac equation originally proposed by Kutzelnigg which makes use of the squared Dirac operator . This approach holds the…