Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi-Reference-Cited by-同舟云学术

Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi

Published:2018-03-26 Issue:5 Volume:14 Page:2386-2400
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Richard Ryan M.¹,Bakr Brandon W.¹,Sherrill C. David¹^ORCID

Affiliation:

1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States

Funder

Division of Chemistry

U.S. Department of Defense

Division of Advanced Cyberinfrastructure

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01232

Reference77 articles.

1. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

2. Fragment and localized orbital methods in electronic structure theory

3. Beyond QM/MM: Fragment Quantum Mechanical Methods

4. Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

5. Energy-Based Molecular Fragmentation Methods

Cited by 37 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quasi-Spherical and Upconversion g-CNNPs for Ultrasensitive Detection of Fipronil in Soil Samples and Bioimaging in Zebrafish;ACS Applied Nano Materials;2024-09-09

2. Scalable generalized screening for high-order terms in the many-body expansion: Algorithm, open-source implementation, and demonstration;The Journal of Chemical Physics;2023-11-03

3. Nuclear Magnetic Resonance Study of CO₂ Capture by Fluoroalkylamines: Ammonium Ion pK_a Depression via Fluorine Modification and Thermochemistry of Carbamylation;The Journal of Organic Chemistry;2023-08-02

4. DFT and TD-DFT study of hydrogen bonded complexes of aspartic acid and n water (n = 1 and 2);Journal of Molecular Modeling;2023-03-11

5. Extending multi-layer energy-based fragment method for excited-state calculations of large covalently bonded fragment systems;The Journal of Chemical Physics;2023-01-24