Continuum remover-complex absorbing potential: Efficient removal of the nonphysical stabilization points.
By adding a negative imaginary potential of variable strength eta to the Hamiltonian, the resonance state of a system can be found as complex energy stabilized points in the eta-trajectories of the eigenvalues. One problem that arises in practical calculations is the appearance of nonphysical complex energy stabilized points. A new method for separating the physical from the nonphysical complex energy stabilized points is proposed. The method is best illustrated with strongly correlated two-electron systems.
Sajeev
Y
Y
Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany. sajeev.yesodharan@pci.uni-heidelberg.de
Vysotskiy
V
V
Cederbaum
L S
LS
Moiseyev
N
N