The use of a scheme based on the Galerkin-Petrou method for quantum chemical calculations is suggested. The results of its application to the calculation of the energies of the ground and excited states of the quartic oscillator are presented.
A characterization of pairs of subspaces for quantum chemical applications of the Galerkin–Petrov method
✍ Scribed by K. Jankowski
- Book ID
- 104578866
- Publisher
- John Wiley and Sons
- Year
- 1976
- Tongue
- English
- Weight
- 631 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
A method is proposed for characterizing pairs of finite dimensional subspaces of the Hilbert space. The method might be helpful for the proper selection of coordinate and projective spaces leading to reliable realizations of the Galerkin–Petrov method for use in quantum chemistry. In order to illustrate the method some numerical results are presented.
📜 SIMILAR VOLUMES
We consider the equations governing the electrical and thermal behaviour of a semiconductor device in two dimensions. A non-standard Petrov-Galerkin method is used to obtain a discretisation of the equations for stationary problems. The resulting scheme is a generalization to the two-dimensional cas