Dear Chris, I need to have a brief description of the method used by Kwant. May I ask if the approach used by Kwant is similar to the mode match method described in this Physical Review B [v. 72, 035450 (2005 ) ] paper “Conductance calculations for quantum wires and interfaces: Mode matching and Green’s Functions” P. A. Khomyakov, G. Brocks,* V. Karpan, M. Zwierzycki, and P. J. Kelly. In this approach, the incident wave is treated as a source term and wavefunction in the scattering region (not the lead) is obtained by inversing the Hamiltonian matrix, which is finite in size. The effect of the lead is included by some terms resembling the self energy, but is derived using the propagation matrices, which relate the wavefunctions between two neighbouring slices of sites. KS On 8/11/2017, 4:29 PM, "Christoph Groth" <christoph.groth@cea.fr> wrote: Prof. CHAN Kwok Sum wrote: > May I have some references for the method used to find the scattering > wavefunction? In the paper in New Journal of Physics about Kwant, a > paper about the theory is mentioned. However, I cannot find the > paper. Is it possible to have some references on the theory? Thank > you in advance. This paper has been planned for a long time, but now we are finally working on it. It won't be out for yet several months though. Meanwhile, the information given in the Kwant paper should give quite a good idea of how Kwant's solvers are working internally. If you have specific questions, you can ask them here or consult the source code. Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.