Truncation of the correlation consistent basis sets: An effective approach to the reduction of computational cost?
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1785145
Reference23 articles.
1. Gaussian‐2 (G2) theory: Reduced basis set requirements
2. ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition
3. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
4. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
5. The parallel implementation of a full configuration interaction program
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