A multicenter numerical integration scheme for polyatomic molecules

Keywords

Polyatomic ion, Diatomic molecule, Scheme (mathematics), Simple (philosophy), Numerical integration

References

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• Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: Evidence of small basis set superposition error compared to Gaussian basis setsNicholas Rossi — 2008
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• Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method.Lorenzo Maschio, Bernard Kirtman, Roberto Orlando — 2012
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• Modelling radial electron densities ofatoms in moleculesDevin G. S. Nippard — 2014
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• Hindered Rotation of Dihydrogen on Synthesized Metal OxidesGeorge Houston Rouvelas — 2013
• The structure and electronic characteristics of metallosilicates with ZSM-5 structureYasunori Oumi, Masayuki Yamadaya, Tomonori Kanougi — 1997

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