Recent content by deFe_9807

Hi Twigg, Yes, sorry for the lack of information. The references I'm using come from the paper "Method/Basis Set Dependence of the Traceless Quadrupole Moment Calculation for N2, CO2, SO2, HCl, CO, NH3, PH3, HF, and H2O" by Siegfried Hofinger and Martin Wendland and these are the result they...

This is my first post of this topic so I hope it is in the correct place. I need some help to figure out the using of GAUSSIAN in order of calculate the dipole and quadrupole moment for the carbon monoxide molecule with different levels of theory (SCF and Post Hartree Fock methods). In...

Hello Everyone! I'm Federico, a chemistry student from Italy. More specifically, I'm attending my master degree in chemical sciences with a theoretical/computational chemistry curriculum, oriented to solid state physics. Thank you for the opportunity of being here.