Re: [Wien] 4f Hubbard term

Dear Prof. Laurence Marks Thank you very much 2017-11-24 14:44 GMT+01:00 Laurence Marks : > I think this is right, but I have not checked the notes on the web site. > > Note: be careful about spin. > > On Fri, Nov 24, 2017 at 7:24 AM, karima Physique < >

Re: [Wien] 4f Hubbard term

I think this is right, but I have not checked the notes on the web site. Note: be careful about spin. On Fri, Nov 24, 2017 at 7:24 AM, karima Physique wrote: > Dear Prof. Laurence Marks; Thank you for your reply and i have a last > question : > > can I write the

Re: [Wien] 4f Hubbard term

Dear Prof. Laurence Marks; Thank you for your reply and i have a last question : can I write the estimation equation in this form: Ueff=[ E4f(up) * (+ 1/2 e)] - [ E4f(up) * (- 1/2 e)] - [ EF * (+ 1/2 e)] + [ EF * (- 1/2 e)] Is this correct .?: 2017-11-24 2:50 GMT+01:00 Laurence Marks

Re: [Wien] 4f Hubbard term

In my experience, yes. On Nov 23, 2017 6:13 PM, "karima Physique" wrote: > Dear wien2k users; > > can we use the method described by G. K. H. Madsen and P. Novák to > estimate the hubbard term for the 4f elements.? > ___

[Wien] 4f Hubbard term

Dear wien2k users; can we use the method described by G. K. H. Madsen and P. Novák to estimate the hubbard term for the 4f elements.? ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH