supported by the National Natural Science Foundation of China(Grant No.11074151);the Natural Science Foundation of Shandong Province,China(Grant No.ZR2014AM022)
Quantum state-to-state dynamics of the N(4S) + H-2(X1+Σ) → NH(X3Σ) + H(2S) reaction is reported in an accurate novel potential energy surface constructed by Zhai et al.(2011 J. Chem. Phys. 135 104314). The time-dep...
Project supported by the National Natural Science Foundation of China(Grant Nos.11304185 and 11074151);China Postdoctoral Science Foundation(Grant No.2014M561957);the Postdoctoral Innovation Project of Shandong Province,China(Grant No.201402013);the Shandong Provincial Natural Science Foundation,China(Grant No.ZR2014AM022)
A globally accurate potential energy surface is reported for the electronic ground-state H2O+. The ab initio energies utilized to map the potential energy surface are calculated at the multireference configuration in...
Project supported by the National Natural Science Foundation of China(Grant Nos.11304185 and 11074151)
The potential energy curves(PECs) of the first electronic excited state of S2(a^1△g) are calculated employing a multi-reference configuration interaction method with the Davidson correction in combination with a ...
Project supported by the National Natural Science Foundation of China(Grant No.11074151);the Doctoral Program Foundation of Institutions of Higher Education of China(Grant No.20123704110002)
The dynamics of the double-channel dissociation of the NaCs molecule is investigated by using the time-dependent wave packet (TDWP) method with the "split operator-Fourier transform" scheme. At a given wavelength ...
supported by the National Natural Science Foundation of China(Grant No.11074151);the National Basic Research Program of China(Grant No.2011CB808100)
We investigate the photoassociation dynamics of cold NaRb molecule controlled by an asymmetric laser pulse called slowly-turned-on and rapidly-turned-off(STRT) laser pulse. This new shaped laser pulse has a remarkable...
Project supported by the National Natural Science Foundation of China(Grant No.11074151)
We investigate the structure of multiple spherical particles confined in a soft membrane tube that originally has a cylindrical shape. Assuming an attraction energy between the surface of the spherical particle and th...