[11a-A24-1~13] 3.6 Laser processing

9:00 AM - 9:15 AM JST(12:00 AM - 12:15 AM UTC)

[11a-A24-1] On the stress tensor and pressure in time-dependent density functional theory

〇Mizuki Tani¹, Tomohito Otobe¹ (1.KPSI)

Keywords:

time-dependent density functionla theory,stress,pressure

We investigated a calculation method and implementation method for stress tensors in nonequilibrium based on the time-dependent density functional method, and performed benchmark tests on basic materials such as silicon, aluminum, copper, and quartz.