Computing vibrational eigenstates with tree tensor network states (TTNS) [Editor's Pick]


During my postdoctoral studies in the group of Prof. G. Chan (Caltech), as side project, I worked on the computation of vibrational spectra using tree-tensor network states (TTNS). There, I applied methods developed in the condensed matter community to molecular systems. Compared to established approaches for computing vibrational spectra, such as the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method, the new approach is faster and much more robust and the diagrammatic language from condensed matter physics I use gains much more insights. I am currently working on using the TTNS method to compute high-lying vibrational states of the Zundel ion.

The Journal of Chemical Physics