Publication Date:
2015-02-14
Description:
Author(s): Zhi Wang, Shu-Shen Li, and Lin-Wang Wang We have developed an efficient real-time time-dependent density functional theory (TDDFT) method that can increase the effective time step from 〈1 as in traditional methods to 0.1–0.5 fs. With this algorithm, the TDDFT simulation can have comparable speed to the Born-Oppenheimer (BO) ab initio m... [Phys. Rev. Lett. 114, 063004] Published Fri Feb 13, 2015
Keywords:
Atomic, Molecular, and Optical Physics
Print ISSN:
0031-9007
Electronic ISSN:
1079-7114
Topics:
Physics