The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference23 articles.
1. Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory
2. Quadratic configuration interaction. A general technique for determining electron correlation energies
3. A fifth-order perturbation comparison of electron correlation theories
4. Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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