Recent content by leoant

Dear all, I am here again with problems:confused: I am now trying to get some feeling of electron correlations in solid, following some literature, but it seems like that ALL confusing things lie here---there are s o many methods, and usually different people insist on their own one...

Dear all, I am now intended to do some first-principle calculations on disordered system, where VCA is an effective method. However, as to practical implementation using different methods, say Plane-Wave Pseudopotential, FPLMTO, FPLAPW, it's a litter hard to get a clear picture about how to set...

Dear all: Since bond energies in crystal are very important in say single crystal growth theory, and it seems very difficult to do such calculations. However, can someone give me some hints on this task, or if there is a perfect solution, please let me know. Sincerely Hongbin Zhang

Ohh, it's an exciting paper while makes me frustrated. One can interpret 'the complex system' intuitively, however, how can we describe it mathematically? Using Hubbard mode or t-J mode? Or even chaos theory?

Thank you very much, dear Zapperz. And May you a good journey.

I am no familiar with this area, and I want to know whether can we say that materials including atoms with d electrons are strongly correltated sysytem?

I have been thinking on this question during the last few monthes on my spare time. I think molecular orbitals, such as HOMO, LUMO, are the same as those of an atom, if we can consider molecular as a pseudo atom, since there are s, p, d orbitals in atoms. However, the origin of molecular...

Thank you for your reply,dear Zz. I also want to solve them by myself, but it seems to be an impossible task for me. So would you to give me some hints, clues or general method about how to solve this kind of equations? Or would you refer me to somebody who has done these work?

Dear all: Now I am try to interpret superconductivity in MgB2, its transition temperature can be get by solving Eliashberg Equations. However, I cann't find any porgram which can do this job, so can someone give me some links or package refer to solving Eliashberg Equations? Thank you...

Thank you very much, dear Zapper. About McMillan's theory, would you be kind to make a short comment?

from cond-mat/0106143 "Eliashberg theory goes beyond BCS theory because it includes retardation effects; however, it is still a weak coupling theory, in the sense that the Fermi energy is the dominant energy, and the quasiparticle picture remains intact." Here I am confused. From the authors...

Dear Zapper: Yeah, I have read the two papers and those related, and what I want to do is to get an understanding of superconductivity dominated by eletron-phonon interaction following their papers taking MgB2 as an example. And though BCS is important to tell us superconducting mechanism, i...

Dear all: Now I am trying hard to interpret superconductivity in MgB2, and when reading some paper such as J.Kortus et. al, J.M.An et. al on PRL/PRB, I find that their way to weigh transition temperature is different, for instance, in J.Kortus's paper(PRL86,4656(2001)), they use...

Dear all: I've been tortrued by this problem for a long time, please help me as possible as you can. 1. I want to know, after one get a dispersion picture of E(k), how to judge one of those curves stems from, say, px/py/pz sigma/pi (bond?)? That is to say, how to judge the curve's...

Thank you for your reply, marlon. Yeah I am reading the paper by R. S. Mulliken, however, what I really do is calculation with plane-wave pseudopotential ab initio method and I want to interpret my results. Thus I wonder how can one derive the same meaning for plane waves as AOs in Mulliken's...