How to cite TROVE

The main reference is [TROVE]. For general usage of symmetries cite [17YuYaOv] and [21MeYuJe] for the artificial extended molecular symmetries (AEM). When using exact KEOs of (quasi-) linear triatomic molecules, cite [20YuMe]. If an application is based on a specific TROVE system, please cite the relevant publication (if applicable). For example, for a (quisi-) linear triatomic molecules, one use (and cite) [20YuMeFr] as a guide.

References

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    S.N. Yurchenko, W. Thiel, P. Jensen, J. Mol. Spectrosc. 245, 126 (2007), Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules. doi:10.1016/j.jms.2007.07.009

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    1. Sousa-Silva, A.F. Al-Refaie, J. Tennyson, S.N. Yurchenko, Mon. Not. R. Astron. Soc. 446, 2337 (2015), ExoMol line lists - VII. the rotation-vibration spectrum of phosphine up to 1500 K.

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    1. Sousa-Silva, S.N. Yurchenko, J. Tennyson, J. Chem. Phys. 145, 091102 (2016), Tunelling splitting in the phosphine molecule.

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    B.P. Mant, K.L. Chubb, A. Yachmenev, A. Tennyson, and S.N. Yurchenko, Mol. Phys., 118, e1581951 (2019), The infrared spectrum of PF3 and analysis of rotational energy clustering effect.

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    V.H. J. Clark and S.N. Yurchenko. Phys. Chem. Chem. Phys., 23, 11990 (2021), Modelling the non-local thermodynamic equilibrium spectra of silylene (SiH2).

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    S.N. Yurchenko, J. Tennyson, S. Miller, V.V. Melnikov, J. O’Donoghue, and L. Moore, Mon. Not. R. Astron. Soc., 497, 2340 (2020), ExoMol line lists - XL. Ro-vibrational molecular line list for Hydronium ion (H3O+). doi:10.1093/mnras/staa2034

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      1. Yurchenko and T.M. Mellor. J. of Chem. Phys., 153, 154106 (2020). doi:10.1063/5.001954

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    1. Saribal, G. Yang, E. Zak, Y. Saleh, J. Eggers, V. Sanjay, A. Yachmenev, and J. Küpper, Comput. Phys. Commun., in preparation (2021), Richmol: Python package for variational simulations of molecular nuclear motion dynamics in fields”.

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