Go to the source code of this file.
|
subroutine, public | rt_make_propagators::propagate_exp (rtp, rtp_control) |
| performs propagations if explicit matrix exponentials are used ETRS: exp(i*H(t+dt)*dt/2)*exp(i*H(t)*dt/2)*MOS EM: exp[-idt/2H(t+dt/2)*MOS More...
|
|
subroutine, public | rt_make_propagators::propagate_exp_density (rtp, rtp_control) |
| Propagation of the density matrix instead of the atomic orbitals via a matrix exponential. More...
|
|
subroutine, public | rt_make_propagators::propagate_arnoldi (rtp, rtp_control) |
| computes U_prop*MOs using arnoldi subspace algorithm More...
|
|
subroutine, public | rt_make_propagators::propagate_bch (rtp, rtp_control) |
| Propagation using the Baker-Campbell-Hausdorff expansion, currently only works for rtp. More...
|
|
subroutine, public | rt_make_propagators::compute_exponential (propagator, propagator_matrix, rtp_control, rtp) |
| decides which type of exponential has to be computed More...
|
|
subroutine, public | rt_make_propagators::compute_exponential_sparse (propagator, propagator_matrix, rtp_control, rtp) |
| Sparse versions of the matrix exponentials. More...
|
|