Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.471518
Reference24 articles.
1. Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water
2. A new direct CI method for large CI expansions in a small orbital space
3. A new determinant-based full configuration interaction method
4. Accurate Quantum Chemical Calculations
5. Benchmark full configuration‐interaction calculations on H2O, F, and F−
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