High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models

The paper describes methods and fast computational algorithm for building effective Hamiltonians in molecular physics using perturbative approach. Separations of fast and slow variables are considered in the framework of contact transformations (CT). The particular focus is on a systematic derivatio...

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Bibliographic Details
Published in:	Molecular physics Vol. 120; no. 15-16
Main Authors:	Tyuterev, Vladimir, Tashkun, Sergey, Rey, Michael, Nikitin, Andrei
Format:	Journal Article
Language:	English
Published:	Abingdon Taylor & Francis 18.08.2022 Taylor & Francis Ltd
Subjects:	Algorithms Computing time contact transformation Convergence Coupling (molecular) Couplings effective dipole transition moments Effective Hamiltonian Hamiltonian functions Mathematical models Molecular physics Molecular spectra Potential energy Resonant interactions Spectrum analysis symmetry Transformations (mathematics) Variational methods
ISSN:	0026-8976, 1362-3028
Online Access:	Get full text
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