Michal Kotkowiak

2 Questions 13 Answers 0 Followers

Questions related from Michal Kotkowiak

What do when I get an "out of memory error" on Gaussian TD-SCF?

Hello, I am going to calculate UV-vis spectrum, however I have a problem with amount of memory used for calculation. I would like to calculate for more than 25 states.For 6 shared processors I can...

02 February 2015 5,539 17 View

How can I calculate energy of the triplet state in Gaussian?

I was trying to calculate difference between triplet and singlet for O2 molecule however obtained value is incorrect in comparison to literature (after that I would like to use this algorithm for...

11 November 2014 4,586 3 View