Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
HOW TO ADD AN ELECTRON TO A SHEET...AND STUDY ITS INTERACTION WITH A FOREIGN MOLECULE..??
Siddheshwar Chopra
sidhusai@gmail.com
Dear Sir,
I wish to know how to add different electronic charges to a system (say a sheet), and then study its interaction with any foreign molecule? More precisely, I have a optimized carbon sheet and I want to charge it. After charging and optimizing it, I want to bring a molecule (neutral) closer to it and study this optimized system ( charged sheet + molecule). please tell me how to go about adding charge to ONLY the sheet (and not the molecule). What I know is that I can add a charge to the complete system (sheet +molecule)...But am unaware how to add charge to ONLY the optimized sheet.
Regards,
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Thu Jul 18 '13 2:56pm
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 1038 times