[Pw_forum] Hubbard U on surface

庞瑞 pang.r at sustc.edu.cn
Tue Apr 22 16:21:08 CEST 2014


Dear all:
   I have calculated Hubbard U of transition metal coordinations like
Fe(porphyrin) with linear response method.I find the Hubbard U usually is
larger when the molecule adsorped on metal surface than it is in vaccum. Is
this universal? Is there any explain available?
   Thanks.
 



More information about the users mailing list