6 citations · 10 across the 4 of their papers we have counts for
4 papers · 1 filter
VAMPyR -- A High-Level Python Library for Mathematical Operations in a Multiwavelets Representation
Magnar Bjørgve, Christian Tantardini, Stig Rune Jensen +5
Wavelets and Multiwavelets have lately been adopted in Quantum Chemistry to overcome challenges presented by the two main families of basis sets: Gaussian atomic orbitals and plane…
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…
Full Breit Hamiltonian in the Multiwavelets Framework
Christian Tantardini, Roberto Di Remigio Eikås, Magnar Bjørgve +2
New techniques in core-electron spectroscopy are necessary to resolve the structures of oxides of -elements and other strongly correlated materials that are present only as powd…
Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Gabriel A. Gerez S., Roberto Di Remigio Eikås, Stig Rune Jensen +2
We present a multiwavelet-based implementation of a quantum/classical polarizable continuum model. The solvent model uses a diffuse solute-solvent boundary and a position-dependent…