Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2217732
Reference59 articles.
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5. Analytic evaluation of energy gradients for the singles and doubles coupled cluster method including perturbative triple excitations: Theory and applications to FOOF and Cr2
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