Interpolating Hamiltonians in chemical compound space

摘要

We analyze the Hamiltonian-interpolating schemes in chemical compound space. We show that if one allows for system-dependent information there are trivial solutions to this problem that allow to linearly interpolate between any two given iso-electronic Hamiltonians. If, on the other hand, one do not use any information about the system's Hamiltonians, we prove that there are no system-independent multiplicative interpolating procedures that linearize the energy.