.png){kind=icon}
.png){kind=icon}
Return
Hybrid functionals with local range separation
.png){kind=icon}
PRE
AI
DOI：10.1063/1.2978377.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
Range-separated (screened) hybrid functionals provide a powerful strategy for incorporating nonlocal exact (Hartree-Fock-type) exchange into density functional theory. Existing implementations of range separation use a fixed system-independent screening parameter. Here, we propose a novel method that uses a position-dependent screening function. These locally range-separated hybrids add substantial flexibility for describing diverse electronic structures and satisfy a high-density scaling constraint better than the fixed screening approximation does. (C) 2008 American Institute of Physics.
Keywords:
DENSITY-OF-STATES
LONG-RANGE
EXCHANGE-CORRELATION
ENERGY
ACCURATE
HYDROGEN
VIRIAL
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
IF:
3.1
Papers:
7.2W
Citations:
23.2W
View more organizations