I like defining single-particle states as simultaneous eigenstates of generators of the Poincare group (basically, the representations of the Poincare group). This is the most fundamental definition we have in relativistic QFTs, see Weinberg around (2.5.1). However, this definition does not seem to be particularly useful in the free theory.
Indeed, consider the state $|\mathbf{p}_1,\mathbf{p}_2\rangle=a^\dagger_\mathbf{p_1}a^\dagger_\mathbf{p_2}|0\rangle$. While intuitively it is obviously a two-particle state, it does obey all the properties of a single-particle state, as it has definite energy and momentum.
What am I missing? What should I adjust in my definition so that $|\mathbf{p}_1,\mathbf{p}_2\rangle$ would not be a single-particle state? Would $|\mathbf{p}_1,\mathbf{p}_2\rangle$ not be a pole of the free propagator? If so, how do I relate this to the definition in terms of the Poincare group?
Also, see this and this closely related questions.
Note that an analogous problem would not arise in the interacting QFT, where the consecutive application of operators, creating single-particle states, to vacuum does not result in creating Hamiltonian eigenstates.