http://rdf.ncbi.nlm.nih.gov/pubchem/patent/JP-WO2011036952-A1
Outgoing Links
| Predicate | Object |
|---|---|
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/H01L29-517 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C10-00 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/H01L29-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-50 |
| filingDate | 2010-08-05-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationDate | 2013-02-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | JP-WO2011036952-A1 |
| titleOfInvention | Electronic state calculation system and program |
| abstract | A system capable of calculating the electronic state of a material having highly localized electrons with high accuracy in principle. A method of applying the pseudopotential method to the calculation of the interaction parameter U eff value for the local electron orbital is provided, and the electronic state of the material is calculated by the pseudopotential method using the U eff value calculated using the method. Calculate More specifically, there is provided a method for calculating the effective potential and the energy gap based on the DFT + U calculation in the case where the effective potential for the localized electrons is smaller than the DFT + U energy. |
| priorityDate | 2009-09-28-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
| Predicate | Subject |
|---|---|
| isDiscussedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450964499 http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID150906 |
Total number of triples: 14.