Nonrelativistic energy levels of HD

Literature Information

Publication Date 2018-10-09
DOI 10.1039/C8CP05493B
Impact Factor 3.676
Authors

Jacek Komasa


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Abstract

Nonadiabatic exponential functions are employed to solve the four-body Schrödinger equation. Nonrelativistic bound energy levels of the HD molecule are calculated to the relative accuracy of 10−12–10−13, which is the first step toward highly accurate prediction of dissociation and transition energies. Such energies, in connection with equally accurate experimental data, will enable refinement of the physical constant and aid the search for deviations caused by yet unknown interactions at the atomic scale.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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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