|
|
|
|
|
Guocai Tian, Yuxiang Mo and Jianmin Tao
The accurate first-principles prediction of the energetic properties of molecules and clusters from efficient semilocal density functionals is of broad interest. Here we study the performance of a non-empirical Tao-Mo (TM) density functional on binding e...
ver más
|
|
|
|
|