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A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levels

A. J. C. Varandas, Sérgio Paulo Jorge Rodrigues

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2002 · 34 citations · 69 references

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References

69

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

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Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120

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A general method for constructing multidimensional molecular potential energy surfaces from <i>ab</i> <i>initio</i> calculations

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Lecture notes in Chemistry

GG Balint-Kurti · 2000 · 368 citations

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