Quasi-bond orbitals from maximum-localization hybrids for ab initio CI calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Localized bond orbitals and the correlation problem
2. Localized bond orbitals and the correlation problem
3. Natural orbitals in the CIPSI algorithm
4. Use of perturbed first-order density matrices in multi-reference configuration interaction expansions
5. Inexpensive determinations of valence virtual MOs for CI calculations
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