Online complete basis set limit extrapolation calculator
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference27 articles.
1. Blind test of density-functional-based methods on intermolecular interaction energies;Taylor;J. Chem. Phys.,2016
2. An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H2O)m, m = 2–6, 8, 11, 16, and 17;Miliordos;J. Chem. Phys.,2015
3. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes;Spackman;AIP Adv.,2015
4. The benzene⋯naphthalene complex: A more challenging system than the benzene dimer for newly developed computational methods;Wang;J. Chem. Phys.,2015
5. DFT calculations of effective exchange integrals at the complete basis set limit on oxo-vanadium ring complex;Kitagawa;Polyhedron,2013
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