Waveflow: Enforcing boundary conditions in smooth normalizing flows with application to fermionic wave functions

This paper applies physical constraints onto normalizing flows in order to sample many-electron wavefunctions. Unlike most wavefunction-based methods where the Slater determinants are used to encode antisymmetry, the antisymmetric property of fermionic wavefunctions is encoded directly in the construction of the normalizing flows with certain boundary conditions. We call the proposed scheme “waveflows”.