Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution
| dc.contributor.author | Limpanuparb, Taweetham | |
| dc.contributor.author | Gilbert, Andrew | |
| dc.contributor.author | Gill, Peter | |
| dc.date.accessioned | 2015-12-10T22:50:49Z | |
| dc.date.issued | 2011 | |
| dc.date.updated | 2015-12-10T07:20:54Z | |
| dc.description.abstract | We show that the Coulomb operator can be resolved as r12-1 = Σnlm φnlm(r1) φnlm(r2) where φnlm(r) is proportional to the product of a spherical Bessel function and a spherical harmonic, provided that r1 + r2 < 2π. The resolution reduces Coulomb matri | |
| dc.identifier.issn | 1549-9618 | |
| dc.identifier.uri | http://hdl.handle.net/1885/58765 | |
| dc.publisher | American Chemical Society | |
| dc.source | Journal of Chemical Theory and Computation (JCTC) | |
| dc.title | Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution | |
| dc.type | Journal article | |
| local.bibliographicCitation.issue | 4 | |
| local.bibliographicCitation.lastpage | 833 | |
| local.bibliographicCitation.startpage | 830 | |
| local.contributor.affiliation | Limpanuparb, Taweetham, College of Physical and Mathematical Sciences, ANU | |
| local.contributor.affiliation | Gilbert, Andrew, College of Physical and Mathematical Sciences, ANU | |
| local.contributor.affiliation | Gill, Peter, College of Physical and Mathematical Sciences, ANU | |
| local.contributor.authoruid | Limpanuparb, Taweetham, u4564845 | |
| local.contributor.authoruid | Gilbert, Andrew, u4177325 | |
| local.contributor.authoruid | Gill, Peter, u1586534 | |
| local.description.embargo | 2037-12-31 | |
| local.description.notes | Imported from ARIES | |
| local.identifier.absfor | 030701 - Quantum Chemistry | |
| local.identifier.absseo | 970102 - Expanding Knowledge in the Physical Sciences | |
| local.identifier.absseo | 970103 - Expanding Knowledge in the Chemical Sciences | |
| local.identifier.ariespublication | u4005981xPUB457 | |
| local.identifier.citationvolume | 7 | |
| local.identifier.doi | 10.1021/ct200115t | |
| local.identifier.scopusID | 2-s2.0-79954462623 | |
| local.identifier.thomsonID | 000289315700004 | |
| local.type.status | Published Version |
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