Local configuration interaction: An efficient approach for larger molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference34 articles.
1. Analytic gradients from correlated wave functions via the two‐particle density matrix and the unitary group approach
2. Derivative studies in configuration–interaction theory
3. Exact formula for the gradient of the CI potential energy hypersurface
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