82,022 research outputs found
Spinal compression fractures: no additional pain relief with use of back braces
A critical appraisal and clinical application of Li M, Law SW, Cheng J, Kee HM, Wong MS. A comparison study on the efficacy of SpinoMed® and soft lumbar orthosis for osteoporotic vertebral fracture. J. Prosthet. Orthot. Int. 2015;39(4):270-276. doi: 10.1177/030936461452820
COUPLED-CLUSTER CALCULATIONS FOR LOW-LYING ELECTRONIC STATES OF HEAVY-METAL CONTAINING MOLECULES
Coupled-cluster calculations of low-lying electronic states for
heavy-metal containing diatomic molecules
(e.g., PtH, ThO, ThN, BaO, CsF)
are reported. Recently-developed
relativistic quantum-chemical techniques have been used, including
an atomic mean-field approach for efficent construction
of spin-orbit integrals [1], a perturbative approach for
treating spin-orbit coupling within
exact-two-component equation-of-motion coupled-cluster
methods [2], and a new implementation of two-component coupled-cluster methods for
non-perturbative treatments of spin-orbit coupling [3].
Bond lengths, vibrational frequencies, and dipole moments
of these molecules containing heavy metals are compared with
experimental data to assess the accuracy and usefulness
of the computational methods.
\begin{thebibliography}{comment}
\bibitem{Ref1} J. Liu and L. Cheng, J. Chem. Phys. submitted.
\bibitem{Ref2} L. Cheng, F. Wang, J. F. Stanton, and J. Gauss, J. Chem. Phys. \textbf{148}, 044108 (2018).
\bibitem{Ref3} J. Liu, Y. Shen, A. Asthana, and L. Cheng,
J. Chem. Phys. \textbf{148}, 034106 (2018).
\end{thebibliography
Preface Modeling soil system: Complexity under your feet
none4openDe Bartolo S.; Otten W.; Cheng Q.; Tarquis A.M.De Bartolo, S.; Otten, W.; Cheng, Q.; Tarquis, A. M
- …