RTBSE

References: Marek2025

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. More details (including description of output files) is available in the methods section of the documentation. [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]