Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results-Reference-Cited by-同舟云学术

Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results

Published:2013-01-02 Issue:2 Volume:9 Page:995-1006
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Leverentz Hannah R.¹,Qi Helena W.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300848z

Reference102 articles.

1. The Water Hexamer: Cage, Prism, or Both. Full Dimensional Quantum Simulations Say Both

2. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

3. A fifth-order perturbation comparison of electron correlation theories

4. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

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