Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference29 articles.
1. Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water
2. Full CI calculations on BH, H2O, NH3, and HF
3. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
4. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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