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We introduce two different approaches to represent the second-quantizedelectronic Hamiltonian in a sum-of-products form. These procedures aim atmitigating the quartic scaling of the number of terms in the Hamiltonian withrespect to the number of spin orbitals, and thus enable applications to largermolecular systems. Here we describe the application of these approaches withinthe multi-configuration time-dependent Hartree framework. This approach isapplied to the calculation of eigen energies of LiH and electronic ionizationspectrum of H2O.

Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method