Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds-Reference-Cited by-同舟云学术

Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds

Published:2005-06-15 Issue:23 Volume:122 Page:234106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Mosyagin N. S.,Titov A. V.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1914770

Reference45 articles.

1. Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method

2. Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb2+

3. Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules

4. Generalized relativistic effective core potential: Theoretical grounds

5. Generalized relativistic effective core potential and relativistic coupled cluster calculation of the spectroscopic constants for the HgH molecule and its cation

Cited by 11 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. Compound-tunable embedding potential method and its application to calcium niobate crystal CaNb2O6 with point defects containing tantalum and uranium;Physical Review B;2021-05-04

2. Generalized relativistic effective core potentials for superheavy elements;International Journal of Quantum Chemistry;2019-10-24

3. Generalized relativistic effective core potentials for actinides;International Journal of Quantum Chemistry;2015-08-11

4. Correlation consistent, Douglas–Kroll–Hess relativistic basis sets for the 5p and 6p elements;Theoretical Chemistry Accounts;2013-12-17

5. Generalized relativistic effective core potential calculations of the adiabatic potential curve and spectroscopic constants for the ground electronic state of the Ca2 molecule;International Journal of Quantum Chemistry;2013-04-09