Influence of the intramolecular interactions on intermolecular potential matrix elements

Valentina N. Stroinova; Yurii I. Tyurin; Alexander D. Bykov; Vladimir M. Mikhailov

doi:10.1117/12.545679

12 January 2004 Influence of the intramolecular interactions on intermolecular potential matrix elements

Valentina N. Stroinova, Yurii I. Tyurin, Alexander D. Bykov, Vladimir M. Mikhailov

Proceedings Volume 5311, 14th Symposium on High-Resolution Molecular Spectroscopy; (2004) https://doi.org/10.1117/12.545679
Event: 14th Symposium on High-Resolution Molecular Spectroscopy, 2003, Krasnoyarsk, Russian Federation

Abstract

General analytical expressions for non-diagonal matrix elements of intermolecular potential operator are found using the theory of linked ordering schemes¹ for ro-vibrational interactions. Non-diagonal matrix elements corresponds the long range electrostatic interactions in the system H₂O-H₂. Earlier the diagonal matrix elements of intermolecular potential operator were obtained. It is calculated the influence of the vibrational anharmonism on the non-diagonal matrix elements of intermolecular potential does not exceed 12%.

Citation Download Citation

Valentina N. Stroinova, Yurii I. Tyurin, Alexander D. Bykov, and Vladimir M. Mikhailov "Influence of the intramolecular interactions on intermolecular potential matrix elements", Proc. SPIE 5311, 14th Symposium on High-Resolution Molecular Spectroscopy, (12 January 2004); https://doi.org/10.1117/12.545679

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