Edited by
Iwona Gulaczyk, Faculty of Chemistry of Adam Mickiewicz University in Pozna, Poland.
Michaël Rey, CNRS-Université de Bourgogne Europe, France.
Ha Tran, Sorbonne Université - Ecole Polytechnique, France.
ISBN : 9781789452549
Publication Date : September 2026
Hardcover 300 pp
170 USD
Co-publisher
This is the first of two volumes providing a comprehensive overview of the theoretical foundations of modern high-resolution molecular spectroscopy. They highlight the significant progress achieved in recent decades, driven largely by advances in computing power and laser technologies. These books bring together complementary chapters that explain how theoretical developments, computational methods and modeling approaches allow scientists to extract precise molecular information from complex spectra.
Key topics include the treatment of non-rigid molecules, large-amplitude motions, effective Hamiltonians and variational techniques, all of which support accurate interpretation of rotational, vibrational and rovibrational spectra in diverse molecular systems. Both books also explore emerging and specialized techniques, such as microwave three-wave mixing for chiral analysis, spectroscopic networks for validating data and improved treatments of non-adiabatic effects. Finally, they emphasize the importance of collisional effects in real spectroscopic environments, presenting advanced models for line shapes, spectral broadening, shifts and line mixing based on classical, semi-classical and quantum mechanical approaches.
1. Quantities and Units in Spectroscopy, Vincent Boudon and Cyril Richard.
2. Accounting for the Anomalous Centrifugal Distortion of the Water Molecule, Laurent H. Coudert.
3. Hindered Torsion of Asymmetrical Groups, Laurent H. Coudert.
4. Coupled Large Amplitude Motions, Isabelle Kleiner, Iwona Gulaczyk and Marek Kr?glewski.
5. Simplified yet Full Theory of Microwave Three-Wave Mixing (M3WM), Denis S. Tikhonov, Wenhao Sun and Melanie Schnell.
6. A Network Approach to High-Resolution and Precision Spectroscopy, Attila G. Császár, Roland Tóbiás, Péter Árendás and Tibor Furtenbacher.
7. Using Internal Coordinates and Iterative Eigensolvers to Compute (Ro-)Vibrational Energy Levels, Tucker Carrington Jr.
8. Adiabatic and Diabatic Representations in Diatomic Molecules: A Rovibronic Context, Ryan P. Brady and Sergei N. Yurchenko.
9. From Ab Initio, to Variational Methods, Effective Models and High-Resolution Spectra Analyses, Oleg Egorov, Andrei Nikitin and Vladimir Tyuterev.
Iwona Gulaczyk is an associate professor at the Faculty of Chemistry of Adam Mickiewicz University in Pozna, Poland. Her research focuses on high-resolution molecular spectroscopy of non-rigid molecules with astrophysical significance.
Michaël Rey is a senior researcher at CNRS-Université de Bourgogne Europe, France. His research is devoted to the development of numerical and group-theoretical methods for modeling molecular spectra relevant to planetary atmospheres.
Ha Tran is a senior researcher at CNRS, Sorbonne Université, Ecole Polytechnique, France. Her research focuses on the effects of intermolecular collisions on molecular gas spectra, specifically for high-resolution spectroscopy and atmospheric remote sensin
