RTBSE

Controls options for the real-time Bethe-Salpeter (RTBSE) propagation. Note that running RTBSE requires previous low-scaling GW calculation. Also note that designating this section as RTBSE run but choosing run type ENERGY leads to potential deallocation errors. [Edit on GitHub]

Keywords

SECTION_PARAMETERS
RTBSE_HAMILTONIAN

Keyword descriptions

SECTION_PARAMETERS: enum = TDDFT 

Lone keyword: RTBSE

Usage: &RTBSE TDDFT

Valid values:

TDDFT Use TDDFT for density matrix/MO propagation.
RTBSE Use RT-BSE for Green’s function propagation

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

Which method is used for the time propagation of electronic structure. By default, use the TDDFT method. Can also choose RT-BSE method, which propagates the lesser Green’s function instead of density matrix/molecular orbitals. [Edit on GitHub]

RTBSE_HAMILTONIAN: enum = G0W0 

Usage: RTBSE_HAMILTONIAN G0W0

Valid values:

KS Use Kohn-Sham Hamiltonian for Green’s propagation.
G0W0 Use G0W0 Hamiltonian for Green’s function propagation

Which Hamiltonian to use as the single-particle Hamiltonian in the Green’s propagator. [Edit on GitHub]