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Valence bases for valence-only scattering calculations

In a first paper, the authors pointed out that valence-only calculations based on the effective potential of Barthelat et al. (1977) yield satisfactory low-energy electron-molecule scattering results at a reduced computational cost. In the present letter, they explain why this potential seemed superior to more recent ones when the calculation was performed in standard molecular bases. They clarify why bases adapted to the pseudopotential philosophy must be used and they show that, by optimising them adequately, valence-only scattering results remain as accurate as all-electron ones up to large scattering energies (100 eV).