The efficient treatment of higher excitations in CI calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference14 articles.
1. The Ak and Bk approximate CI methods. Comment on a paper by Maynau and Heully
2. Application of direct CI method to approximate SDCI
3. Basis set reduction in Hilbert space
4. The electron affinity of oxygen: A systematic configuration interaction approach
5. Approximating full configuration interaction with selected configuration interaction and perturbation theory
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