366 citations · 700 across the 16 of their papers we have counts for
3 papers · 1 filter
Testing the GFCCSD impurity solver on real materials within the self-energy embedding theory framework
Chia-Nan Yeh, Avijit Shee, Sergei Iskakov +1
We apply the Green's function coupled cluster singles and doubles (GFCCSD) impurity solver to realistic impurity problems arising for strongly correlated solids within the self-ene…
Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian
Loïc Halbert, Marta Lopez Vidal, Avijit Shee +2
We report an implementation of the core-valence separation approach to the 4-component relativistic Hamiltonian based equation-of-motion coupled-cluster with singles and doubles th…
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, Andre Severo Pereira Gomes +24
DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including ran…