An algorithm to solve the two-dimensional Schrodinger equation based on the finite-element method is proposed. In our scheme, the molecular Hamiltonian with any arbitrary internal coordinate system can be solved as easily as with the Cartesian coordinate system. The efficient computer program based
Treatment of angular derivatives in the Schrödinger equation by the finite Fourier series method
✍ Scribed by R.P Ratowsky; J.A Fleck Jr.
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 575 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0021-9991
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