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In this work we investigate the performance of a recently proposedtranscorrelated (TC) approach based on a single-parameter correlation factor[JCP, 154, 8, 2021] for systems involving more than two electrons. The benefitof such an approach relies on its simplicity as efficient numerical-analyticalschemes can be set up to compute the two- and three-body integrals occuring inthe effective TC Hamiltonian. To obtain accurate ground state energies within agiven basis set, the present TC scheme is coupled to the recently proposedTC-full configuration interaction quantum Monte Carlo method [JCP, 151, 6,2019]. We report ground state total energies on the Li-Ne series, together withtheir first cations, computed in increasing large basis sets and compare tomore elaborate correlation factors involving electron-electron-nucleuscoordinates. Numerical results on the Li-Ne ionization potentials show that theuse of the single-parameter correlation factor brings on average only aslightly lower accuracy (1.2 mH) in a triple-zeta quality basis set withrespect to a more sophisticated correlation factor. However, already using aquadruple-zeta quality basis set yields results within chemical accuracy tocomplete basis set limit results when using this novel single-parametercorrelation factor.

Performance of a one-parameter correlation factor for transcorrelation: the Li-Ne total energies and ionization potentials