6 citations · 8 across the 4 of their papers we have counts for
4 papers
The nuclear electric quadrupole moment of Sr from highly accurate molecular relativistic calculations
Gabriele Fabbro, Jan Brandejs, Trond Saue
The nuclear electric quadrupole moment (NQM) of Sr has recently been revisited using high-precision relativistic atomic calculations [B. Lu et al., Phys. Rev. A 100, 012504…
Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory
Gabriele Fabbro, Jan Brandejs, Trond Saue
This work presents the automatic generation of analytic first derivatives of the energy for general coupled-cluster models using the \text{tenpi} toolchain. We report the first imp…
Generating coupled cluster code for modern distributed memory tensor software
Jan Brandejs, Johann Pototschnig, Trond Saue
Using GPU-based HPC platforms efficiently for coupled cluster computations is a challenge due to heterogeneous hardware structures. The constant need to adapt software to these str…
DMRG-tailored coupled cluster method in the 4c-relativistic domain: General implementation and application to the NUHFI and NUF molecules
Jakub Višňák, Jan Brandejs, Mihály Máté +3
Heavy atom compounds represent a challenge for computational chemistry, due to the need for simultaneous treatment of relativistic and correlation effects. Often such systems exhib…