Using the Hi ion as an example, we discuss a fully numerical approach to the solution of the Hartree-Fock equation in momentum space which ensures accurate and stable solutions for polyatomic molecules. We made use of a "tangential" grid to solve the problems of truncation of momentum space and the
Correlation in iterated solutions of the momentum-space schrödinger equation
✍ Scribed by John Avery
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 316 KB
- Volume
- 138
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
It is shown that a generalization of the Fourier convolution theorem can be used to iterate solutions of the many-particle Schrijdinger equation in momentum space. The method is developed both with ordinary coordinates and with hyperspherical coordinates, and as an illustration it is applied to electron correlation in the ground state of helium.
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