All Questions
Tagged with quantum-dots gaussian
2 questions
8
votes
2
answers
321
views
Geometrical Optimization not converging for a double perovskite quantum dot, using Gaussian
I am trying to optimize the geometry of a Cs4CuSb2Cl12 Stoichiometric Quantum dot and I have checked the input multiple times, but the opt+freq calculation is not converging. The quantum dot has about ...
- 1,701
8
votes
0
answers
124
views
How to compare the stability of two nano-structures using ab-inito calculations? [closed]
I have recently started working on Double Perovskites Quantum Dots and one of the main issue with them is that they are not much stable. Some papers did talk about how much stable there compounds are ...
- 1,701