A Two-Point Boundary Value Problem- Elliptic Equations- Finite Difference Methods for Elliptic Equations- Finite Element Methods for Elliptic Equations- The Elliptic Eigenvalue Problem- Initial-Value Problems for Ordinary Differential Equations- Parabolic Equations- Finite Difference Methods for Parabolic Problems- The Finite Element Method for a Parabolic Problem- Hyperbolic Equations- Finite Difference Methods for Hyperbolic Equations- The Finite Element Method for Hyperbolic Equations- Some Other Classes of Numerical Methods

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Partial Differential Equations with Numerical Methods

Infinite matrix solution of the rotation—internal rotation problem of glyoxal type molecules. II

Solution of the rotation-internal rotation problem of glyoxal type molecules by infinite matrix technique

An appreciation of Alfred Bauder

Essential features of rotational spectra are developed on the basis of the quantum mechanics of molecular rotation. The effects of the harmonic vibrations of the nuclei are considered on the molecular rotation. Permanent electric dipole moments are required for the observation of pure rotational transitions. The Stark effect is used to determine the electric dipole moment. Nuclear quadrupole splittings give information on the electronic charge distribution in molecules. Large-amplitude internal motions in molecules lead to splittings of rotational transitions. The splittings determine the potential barriers of the internal motions.


Keywords:

microwave spectroscopy;
molecular rotation;
rotation–vibration interaction;
Stark effect;
nuclear hyperfine splittings;
internal rotation;
inversion

Fundamentals of Rotational Spectroscopy

Numerical solution of the eigenvalue problem of infinite matrices in molecular dynamics

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Numerical solution of the eigenvalue problem of infinite matrices in molecular dynamics