Perturbation calculation of molecular correlation energy using Gaussian-type geminals. Second-order pair energies of LiH and BH

Keyphrases

• Perturbation Calculation 100%
• Geminal 100%
• Correlation Energy 100%
• Nonlinear Parameter 33%
• Many-body Perturbation Theory 33%
• Second-order Correlation 33%
• Linear Parameters 16%
• Adapted Pair 16%
• Perturbation Theory 16%
• Explicitly Correlated Gaussian Functions 16%
• Physical Interpretation 16%
• Schroedinger 16%
• Highly Accurate 16%
• Final Value 16%

Chemistry

• Gaussian Distribution 100%
• Electron Correlation Energy 100%
• Many-Body Perturbation Theory 33%
• Hartree-Fock Calculation 33%
• k·p perturbation theory 16%