Benchmark calculations with correlated molecular wave functions. VIII. Bond energies and equilibrium geometries of the CHn and C2Hn (n=1–4) series
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.474078
Reference59 articles.
1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
2. Thermochemistry of CHn, SiHn(n=0–4), and the cations SiH+, SiH2+, and SiH3+: A converged quantum mechanical approach
3. A new semi-empirical method of correcting large-scale configuration interaction calculations for incomplete dynamic correlation of electrons
4. Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heights
5. Correlation balance in basis sets for electronic structure calculations
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