Benchmark full configuration‐interaction calculations on H2O, F, and F−
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.451034
Reference19 articles.
1. A full CI treatment of Ne atom - a benchmark calculation performed on the NAS CRAY 2
2. Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water
3. Full CI calculations on BH, H2O, NH3, and HF
4. Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations
5. A multi-reference coupled-cluster method for molecular applications
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