Is attention all you need to solve the correlated electron problem?
Geier, Max, Nazaryan, Khachatur, Zaklama, Timothy, Fu, Liang
–arXiv.org Artificial Intelligence
The attention mechanism was originally introduced in the context of large language models to learn relations between words [26]. Solving the many-electron Schrödinger equation for Here, the attention mechanism is employed to identify solids is an exceedingly difficult problem due to the exponential and quantify how electrons influence each other and how growth of the Hilbert space dimension. Various such influence affects their individual orbitals. This enable techniques based on the variational principle have long the construction of NN wavefunctions from Slater been developed to approximate the ground state of interacting determinants of generalized orbitals that depend on the electron systems using trial wavefunctions.
arXiv.org Artificial Intelligence
Feb-7-2025