The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes-Reference-Cited by-同舟云学术

The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes

Published:2017-10-07 Issue:13 Volume:147 Page:134106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sylvetsky Nitai¹,Kesharwani Manoj K.¹,Martin Jan M. L.¹^ORCID

Affiliation:

1. Department of Organic Chemistry, Weizmann Institute of Science, 76100 Reḥovot, Israel

Funder

Israel Science Foundation (ISF)

Minerva Foundation (Minerva Stiftung)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4998332

Reference116 articles.

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

2. Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients

3. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

4. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry

Cited by 56 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. Spectroscopic Identification of Trifluorosilylphosphinidene and Isomeric Phosphasilene and Silicon Trifluorophosphine Complex;Inorganic Chemistry;2024-04-09

2. Twin peaks: Matrix isolation studies of H2S·amine complexes shedding light on fundamental S–H⋯N bonding;The Journal of Chemical Physics;2024-03-28

3. Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga–Kr, In–Xe, and Tl–Rn;The Journal of Chemical Physics;2024-03-15

4. Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF)_n, (HCl)_n and (H₂O)_n where n = 3, 4, 5;Physical Chemistry Chemical Physics;2024

5. In-depth exploration of catalytic sites on amorphous solid water: I. The astrosynthesis of aminomethanol;Physical Chemistry Chemical Physics;2024