Ab-initio variational wave functions for the time-dependent many-electron Schr\"odinger equation

arXiv:2403.07447v1 Announce Type: cross
Abstract: Describing the dynamics of many-electron quantum systems is crucial for applications such as predicting electronic structures in quantum chemistry, the properties of condensed matter systems, and the behaviors of complex materials. However, the real-time evolution of non-equilibrium quantum electronic systems poses a significant challenge for theoretical and computational approaches, due to the system's exploration of a vast configuration space. This work introduces a variational approach for fermionic time-dependent wave functions, surpassing mean-field approximations by capturing …

abstract applications arxiv challenge chemistry cond-mat.str-el cs.lg dynamics electronic equation equilibrium evolution functions however materials matter physics.chem-ph physics.comp-ph quant-ph quantum quantum chemistry real-time systems type