Eckart frames for planar molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Some Studies Concerning Rotating Axes and Polyatomic Molecules
2. Eckart vectors, Eckart frames, and polyatomic molecules
3. H. B. G. Casimir,The Rotation of a Rigid Body in Quantum Mechanics(J. B. Wolters, Den Haag, 1931).
4. Theabinitiocalculation of the vibrational‐rotational spectrum of triatomic systems in the close‐coupling approach, with KCN and H2Ne as examples
5. A variational method for the calculation of rovibrational levels of any triatomic molecule
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1. Molecular frames for a symmetry-adapted rotational basis set;Molecular Physics;2022-09-13
2. Exact Numerical Methods for Stationary-State-Based Quantum Dynamics of Complex Polyatomic Molecules;Molecular Spectroscopy and Quantum Dynamics;2021
3. Accurate Calculations of OH-Stretching Intensities with a Reduced-Dimensional Local Mode Model Including Eckart Axis Embedding;The Journal of Physical Chemistry A;2020-01-08
4. Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO;The Journal of Chemical Physics;2016-02-28
5. Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frame;The Journal of Chemical Physics;2015-07-07
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