Calculations on neon, argon, and germanium have been performed with basis sets of contracted and uncontracted Gaussiantype functions. Both relativistic and non-relativistic Hartree-Fock and many-body perturbation theory calculations have been performed with the intent of observing to what extent bas
Effect of basis sets and population analysis schemes on the calculation of group electronegativity
β Scribed by S. Nath; P.K. Nandi; A.B. Sannigrahi; P.K. Chattaraj
- Book ID
- 113258070
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 457 KB
- Volume
- 279
- Category
- Article
- ISSN
- 0166-1280
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