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General coefficients for Talmi expansions of matrix elements

✍ Scribed by V. C. Aguileara-Navarro; O. Portilho


Book ID
112835926
Publisher
Società Italiana di Fisica
Year
1976
Weight
178 KB
Volume
15
Category
Article
ISSN
0375-930X

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One-center expansion for pseudopotential
✍ M. Pelissier; N. Komiha; J. P. Daudey 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 381 KB

Semilocal pseudopotential operators can be expressed as a linear combination of nonlocal (projection) operators. Pseudopotential operator integrals over a molecular basis set are therefore reduced to linear combinations of overlap integrals products. Molecular calculations indicate that sufficient p