Optimization of convergence criteria for fragmentation methods-Reference-Cited by-同舟云学术

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Optimization of convergence criteria for fragmentation methods

Published:2017-11 Issue: Volume:687 Page:163-170
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Sun Zhaoxi,Zhu Tong,Wang Xiaohui,Mei Ye,Zhang John Z.H.

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference53 articles.

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2. Geometry optimization with Qm/Mm, oniom, and other combined methods. I. Microiterations and constraints;Thom;J. Comput. Chem.,2003

3. Accurate composite and fragment-based quantum chemical models for large molecules;Raghavachari;Chem. Rev.,2015

4. Molecular tailoring approach: a route for ab initio treatment of large clusters;Sahu;Acc. Chem. Res.,2014

5. Molecular tailoring approach for geometry optimization of large molecules: energy evaluation and parallelization strategies;Ganesh;J. Chem. Phys.,2006

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