Rovibrational levels of HD

Literature Information

Publication Date 2010-08-05
DOI 10.1039/C0CP00209G
Impact Factor 3.676
Authors

Krzysztof Pachucki, Jacek Komasa


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Abstract

The dissociation energies of all rotation–vibrational states of the molecular HD in the ground electronic state are calculated to a high accuracy by including nonadiabatic, relativistic α2, and quantum electrodynamic α3 effects, with approximate treatment of small higher order α4, and finite nuclear size corrections. The obtained result for the ground molecular state of 36 405.7828(10) cm−1 is in a small disagreement with the latest most precise experimental value.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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