Slot: exchange_correlation_functional
Exchange-correlation functional used (e.g., PBE, B3LYP)
URI: catcore:exchange_correlation_functional Alias: exchange_correlation_functional
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| DFT | Density functional theory | no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/catcore
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | catcore:exchange_correlation_functional |
| native | catcore:exchange_correlation_functional |
LinkML Source
name: exchange_correlation_functional
description: Exchange-correlation functional used (e.g., PBE, B3LYP)
from_schema: https://w3id.org/nfdi4cat/catcore
rank: 1000
slot_uri: catcore:exchange_correlation_functional
alias: exchange_correlation_functional
domain_of:
- DFT
range: string
multivalued: true