MRD‐CI potential surfaces using balanced basis sets. I. First‐row diatomic hydrides
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.446111
Reference46 articles.
1. New Techniques for the Computation of Multiconfiguration Self‐Consistent Field (MCSCF) Wavefunctions
2. Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques
3. A nearly exact MCSCF+CI calculation of the dissociation energy of OH
4. Full CI calculations on BH, H2O, NH3, and HF
5. Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces
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