A new method for calculating the rotational tunnelling splitting for three-dimensional rotors
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We present a recursion method for calculating the rotational part of the wave function and the rotational tunnelling splitting ω for three-dimensional rotors. This Pocket Recursion Method (PRM) is designed to include the case of splittings that are smaller than 10–2 μeV. The PRM combines two advantages: fast convergence and accuracy. Applications to the various (NX4)2SnCl6 model potentials are shown (X = H, D). For the Smith potential, the calculated isotope shift agrees well with the recent experimental results. Applications to other rotational tunnelling systems are straightforward.
2018 ◽
Vol 140
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2020 ◽
Vol 10
(3)
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pp. 218-227
2014 ◽
Vol 5
(3)
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pp. 871-981
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2021 ◽
pp. 002072092098849
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2011 ◽
Vol 403-408
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pp. 1834-1838
2014 ◽
Vol 687-691
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pp. 3-6
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