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Solving the Dirac equation in momentum space: A numerical study of H2+

✍ Scribed by Yasuyuki Ishikawa; Wilfredo Rodríguez; Samuel Torres; S.A. Alexander


Book ID
107733310
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
347 KB
Volume
143
Category
Article
ISSN
0009-2614

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✍ Wilfredo Rodriguez; Yasuyuki Ishikawa 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 277 KB

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