Analyzing the local basis set superposition error for CO adsorbed on rutile(110)-Reference-Cited by-同舟云学术

Analyzing the local basis set superposition error for CO adsorbed on rutile(110)

Published:2020-08-06 Issue:2 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Dononelli Wilke¹²³^ORCID,Klüner Thorsten¹^ORCID

Affiliation:

1. Institut für Chemie, Carl von Ossietzky Universität Oldenburg Oldenburg Germany

2. Department of Physics and Astronomy Aarhus University Aarhus Denmark

3. Hybrid Materials Interfaces Group Faculty of Production Engineering and MAPEX Center for Materials and Processes, University of Bremen Bremen Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26428

Reference30 articles.

1. Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations

2. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

3. Correlation energy of diamond

4. The correlation energy of crystalline silicon

5. Complete basis set correlation energies. I. The asymptotic convergence of pair natural orbital expansions

Cited by 7 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. Construction of Antisymmetric Variational Quantum States with Real Space Representation;Journal of Chemical Theory and Computation;2024-08-19

2. The role of point defect reconstructions and polycyclic aromatic hydrocarbons in silicate dust preservation;Monthly Notices of the Royal Astronomical Society;2024-08-13

3. Investigation of transition metals (Ag, Au, Pd, Pt and Ru)-doped boron nitride nanocarrier for drug delivery process of favipiravir: An intuition from DFT;Journal of Molecular Liquids;2024-08

4. Environmental Benefit Analysis of Social Responsibility Practices in Information Technology Companies;Applied Mathematics and Nonlinear Sciences;2024-01-01

5. Transition Metal-Decorated B₁₂N₁₂–X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin;ACS Omega;2023-03-07