Speaker
Mr
QianCan Chen
(National Tsing Hua University)
Description
We develop a symmetry-resolved QTT framework for two-particle wavefunctions, using permutation parity to target symmetric or antisymmetric spatial states. Applied to H₂ within the Born–Oppenheimer approximation, QTT-DMRG accurately reproduces the ground singlet X 1Σg+ and lowest triplet b 3Σu+ states, with errors reaching 10^-4 Hartree. The second-order Rényi entropy approaches ln(2) at large internuclear separation for both states, revealing their distinct correlation behavior.