Yunho Ahn

2 Questions 5 Answers 0 Followers

Questions related from Yunho Ahn

How to calculate the second excited singlet level by TD-DFT?

Hello, I'm calculating TD-DFT by Gaussian16 program and want to define the energy levels (singlet & triplet). This is because the material shows dual-emission properties so I want to know the...

21 September 2023 9,077 6 View

Can the intermolecular distance and binding energy be incoherent?

I'm calculating charge transfer complex (donor-accepter intermolecular system) by density functional theory. Since the functional has a van der Waals term, I'm rotating the acceptor and checking...

02 August 2023 9,181 4 View