Higher-order split operator method for solving Schrodinger equation on triatomic reactive scattering
主 题: Higher-order split operator method for solving Schrodinger equation on triatomic reactive scattering
报告人: 孙志刚 (大连化学物理研究所研究员)
时 间: 2014-07-07 14:00-15:00
地 点: 理科一号楼1365室（主持人：邵嗣烘）
New development on efficient state-to-state (SS) triatomic reactive scattering using quantum wavepaket method in our group will be introduced. Efficient higher-order split operator methods are applied for a triatomic reactive scattering calculation and a number of higher order split operators were examined with several typical triatomic reactive scattering, which is compared with the recent put forward real Chebyshev wavepacket method. From our numerical results, we found that some of the higher order split operator can be very efficient. We expect that many triatomic reactive scattering involved deep potential well can be calculated efficiently at the state-to-state level now with these higher order split operators.