The potential energy surface of H2 16O
作者： Oleg L. Polyansky , Per Jensen , Jonathan Tennyson
DOI: 10.1063/1.472501
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摘要: We report here a new determination of the H216O potential energy surface from experimental data. The calculations have been carried out by means very accurate and highly efficient method proposed applied to in previous paper [Polyansky, Jensen, Tennyson, J. Chem. Phys. 101, 7651 (1994)]. This work has significantly improved inclusion additional terms analytical expression used represent surface. Previously, 1600 rotation‐vibration term values for were fitted with standard deviation 0.36 cm−1. With extended model present work, this could be 0.25 function we calculated data set comprising 3200 values, all which can compared experimentally derived values. is 0.6 contains rotationally excited levels 63 vibrational states which...
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