I recently saw a cormorant at our local park. It dove pretty quickly, soon after it came up struggling with a large green eel. The thick 2' eel seemed quite determined to escape by thrashing and even wrapping around the birds neck! Still, after about 2 minutes the bird somehow opened it’s throat ...
I need to compute extremely accurate single point energies using the coupled cluster method. The methods to be employed scale largely with the number of basis functions. A few basis functions may have a huge impact in the computational cost.
I planned assigning a 3$\zeta$ basis set to a central ...
@Hot nitric acid (HNQ), did you see the Materials Modeling stack exchange? There was also a question there about "mixed" basis sets that are a mix of Gaussians and Plane Waves.
@Hot nitric acid (HNQ)? ... that's weird.. I type @o and it fills in @orthocresol for me. I type @Hot nitric acid (HNQ) and nothing happens. Even hot Hot nitric acid (HNQ) wrote here more recently.
In my last message, I meant to write "even though Hot nitric acid..." not "Even hot Hot nitric acid" ... anyway that's a cool user name.
@Kitchener Thank you. I dabbled with ORCA for a few months, but that's stopped now.
Hot nitric acid is a bot, not an actual user.
;)
Anyway, I am afraid I cannot help much: my knowledge of computational chemistry is very basic, and in any case I never dealt with solids or any kind of periodic systems.
Hi my tik tok account got deleted and I am so upset. Says that i am temporary suspended. I didn’t do anything wrong - and ive lost and tried eveything. There is some special stuff on there, i’m very gutted. Please help. Thank you
Hi my tik tok account got deleted and I am so upset. Says that i am temporary suspended. I didn’t do anything wrong - and ive lost and tried eveything. There is some special stuff on there, i’m very gutted. Please help. Thank you
The Periodic Table
The Periodic Table