Slot: gw_hybrid_correction

Whether a many-body GW correction or hybrid functional (e.g. HSE06)

was applied to correct the DFT band gap underestimation.

URI: coremeta4cat:gw_hybrid_correction Alias: gw_hybrid_correction

Applicable Classes

Name	Description	Modifies Slot
BandGap	Electronic band gap and its character (direct/indirect), with optional many-body (GW) or excitonic corrections. Critical for photocatalyst and semiconductor catalyst screening.	no

Properties

• Range: Boolean

• Multivalued: True

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	coremeta4cat:gw_hybrid_correction
native	coremeta4cat:gw_hybrid_correction

LinkML Source

name: gw_hybrid_correction
description: 'Whether a many-body GW correction or hybrid functional (e.g. HSE06)

  was applied to correct the DFT band gap underestimation.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:gw_hybrid_correction
alias: gw_hybrid_correction
domain_of:
- BandGap
range: boolean
multivalued: true