Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides-Reference-Cited by-同舟云学术

Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides

Published:2012-09-06 Issue:11 Volume:8 Page:4062-4068
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gulde Rebekka¹,Pollak Patrik¹,Weigend Florian¹²

Affiliation:

1. Institut für Physikalische Chemie, Abteilung für Theoretische Chemie, Karlsruher Institut für Technologie, Kaiserstraße 12, 76131 Karlsruhe, Germany

2. Institut für Nanotechnologie, Karlsruher Institut für Technologie, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300302u

Reference29 articles.

1. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

2. Fully optimized contracted Gaussian basis sets for atoms Li to Kr

3. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

4. Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials

5. Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr

Cited by 105 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. Using X-ray absorption near edge structure to evaluate adsorption properties of rare earths and nitrogen by difference of their interactions;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2024-11

2. Innovative hybrid and bifunctional rare earth complexes as corrosion inhibitors for AA2024 Alloy: Electrochemical and surface analysis enhanced by DFT/MD simulation;Applied Surface Science;2024-10

3. Surprising Syntheses of Reduced-Arene Inverse Sandwich Complexes of Thorium: (Cp″₂Th)₂(μ–η⁶:η⁶-C₆H₅R) [R = H, Me; Cp″ = C₅H₃(SiMe₃)₂];Organometallics;2024-08-29

4. Elucidating the Mechanism of Efficient Eu(III) and Yb(III) Sensitisation from a Re(I) Tetrazolato Triangular Assembly;Chemistry – A European Journal;2024-08-12

5. A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions;The Journal of Chemical Physics;2024-08-01