The time-dependent coupled cluster method (TDCCM) has been applied to the photodissociation dynamics of linear triatomics using the Beswick—Jortner model. The autocorrelation function and absorption spectra have been evaluated and the convergence of the method has been tested by evaluating the ...
J. Some aspects of the time- dependent coupled-cluster approach to dynamic response functions. Phys. Rev. A: At., Mol., Opt. Phys. 1983, 28, 1217.E. Dalgaard and H. J. Monkhorst, "Some aspects of the time-dependent coupled-cluster approach to dynamic res...
The time‐dependent coupled cluster method is used to calculate the dynamics on coupled surfaces. The time‐dependent self‐consistent‐field solution of the initial doorway state is used as the reference state. Autocorrelation functions and spectra of two model systems are presented. It is found th...
How the truncation scheme and truncated basis set might be transferable to more accurate yet expensive methods like GW/Bethe-Salpeter equation53,54,55, time-dependent coupled cluster/configurational interaction56,57,58, or other type of any excited-state calculations might be explored in the future...
We further find that a cluster of catch bonds of either type generally becomes unstable when subjected to a periodically oscillating force, which is consistent with experimental results. These results provide important insights into versatile time-dependent mechanical behaviors of catch bonds. We suggest...
A comparison of the abilities of time-dependent density-functional theory (TDDFT) and coupled cluster (CC) theory to reproduce experimental sodium D-line s... TD Crawford,PJ Stephens - 《Journal of Physical Chemistry A》 被引量: 112发表: 2008年 Ab initio simulations of sodium using time-dep...
Cluster Synchronization of Time-Varying Delays Coupled Complex Networkswith Nonidentical Dynamical Nodes[J] . Shuguo Wang,Hongxing Yao,Mingping Sun,J. Biazar.Journal of Applied Mathematics . 2012Wang, S.G., Yao, H.X., Sun, M.P.: `Cluster synchronization of time- varying delays coupled ...
Our study aimed to systematically analyze the time-dependent variation in the expression of multiple pathways and networks within 24 h after cerebral ischemia-reperfusion injury. Results By uploading 374 ischemia-related genes into the MetaCore software, the variation in the expression of multiple ...
(see methods). The dendrogram arranges the copper configurations into so-called clusters, where configurations belonging to the same cluster are close together with respect to the dissimilarity metric. Twelve clusters can be identified from the whole diagram, as indicated by the alternating red and ...
Later, however, the X-ray photoemission spectroscopy31,32 and the cluster calculation33 of NiO have suggested that, differently from the previous understanding, ligand p orbitals from oxygen atoms are strongly associated with the valence edge and the band gap is determined between the p-like ...