Correlation energies of the high-density spin-polarized electron gas to meV accuracy
| cam.issuedOnline | 2018-10-08 | |
| dc.contributor.author | Ruggeri, Michele | |
| dc.contributor.author | Rios, Pablo Lopez | |
| dc.contributor.author | Alavi, Ali | |
| dc.contributor.orcid | Alavi, Ali [0000-0002-0654-9489] | |
| dc.date.accessioned | 2018-12-07T00:30:18Z | |
| dc.date.available | 2018-12-07T00:30:18Z | |
| dc.date.issued | 2018 | |
| dc.description.abstract | We present a combination of quantum Monte Carlo methods and a finite-size extrapolation framework with which we calculate the thermodynamic limit of the exact correlation energy of the polarized electron gas at high densities to meV accuracy, −40.44(5) and −31.70(4) mHa at rs=0.5 and 1, respectively. The fixed-node error is characterized and found to exceed 1 mHa, and we show that the magnitude of the correlation energy of the polarized electron gas is underestimated by up to 6 meV by the Perdew-Wang parametrization, for which we suggest improvements. | |
| dc.identifier.doi | 10.17863/CAM.33684 | |
| dc.identifier.eissn | 2469-9969 | |
| dc.identifier.issn | 2469-9950 | |
| dc.identifier.uri | https://www.repository.cam.ac.uk/handle/1810/286370 | |
| dc.language.iso | eng | |
| dc.publisher | American Physical Society (APS) | |
| dc.publisher.url | http://dx.doi.org/10.1103/physrevb.98.161105 | |
| dc.subject | 5106 Nuclear and Plasma Physics | |
| dc.subject | 51 Physical Sciences | |
| dc.title | Correlation energies of the high-density spin-polarized electron gas to meV accuracy | |
| dc.type | Article | |
| prism.issueIdentifier | 16 | |
| prism.number | ARTN 161105 | |
| prism.publicationDate | 2018 | |
| prism.publicationName | PHYSICAL REVIEW B | |
| prism.volume | 98 | |
| rioxxterms.licenseref.startdate | 2018-10-08 | |
| rioxxterms.licenseref.uri | http://www.rioxx.net/licenses/all-rights-reserved | |
| rioxxterms.type | Journal Article/Review | |
| rioxxterms.version | AM | |
| rioxxterms.versionofrecord | 10.1103/PhysRevB.98.161105 |
Files
Original bundle
1 - 1 of 1
Loading...
- Name:
- 1804.04938v3.pdf
- Size:
- 514.52 KB
- Format:
- Adobe Portable Document Format
- Description:
- Accepted version
- Licence
- http://www.rioxx.net/licenses/all-rights-reserved
License bundle
1 - 1 of 1
No Thumbnail Available
- Name:
- DepositLicenceAgreementv2.1.pdf
- Size:
- 150.9 KB
- Format:
- Adobe Portable Document Format