SCHEDULED MAINTENANCE
SCF calculations for the ground state of LiH suggest that a cusped-gaussian basis may be superior to an all-gaussian basis with respect to both the size of basis and the computational time required to produce a given accuracy of the energy and wavefunction of a molecular system.
E. Steiner and B. C. Walsh, J. Chem. Soc., Faraday Trans. 2, 1975, 71, 921 DOI: 10.1039/F29757100921
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