Systematic construction of density functionals based on matrix product state computations
We propose a systematic procedure for the approximation of density functionals in density functional theory that consists of two parts. First, for the efficient approximation of a general density functional, we introduce an efficient ansatz whose non-locality can be increased systematically. Second,...
| Main Authors: | , , , , , |
|---|---|
| 格式: | Journal article |
| 出版: |
IOP Publishing
2016
|