SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131
The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spin...
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| Veröffentlicht in: | J. Chem. Phys. 53: 2397-2406(15 Sep 1970) 1970-01, Vol.53 (6), p.2397-2406 |
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| container_title | J. Chem. Phys. 53: 2397-2406(15 Sep 1970) |
| container_volume | 53 |
| creator | Mann, Joseph B. Waber, James T. |
| description | The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spinp–orbit and direct relativistic effects cause the 8p1/2 electron states to be partially filled before the 7d3/2 states. The inner shell of 5g electrons begins to fill at element 125. The Breit magnetic interaction energy is calculated by a perturbation method; an approximate correlation energy correction is included. Isotopic mass effects on the atom total energy and on the electron eigenvalues are discussed. |
| doi_str_mv | 10.1063/1.1674338 |
| format | Article |
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Mex</creatorcontrib><description>The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spinp–orbit and direct relativistic effects cause the 8p1/2 electron states to be partially filled before the 7d3/2 states. The inner shell of 5g electrons begins to fill at element 125. The Breit magnetic interaction energy is calculated by a perturbation method; an approximate correlation energy correction is included. Isotopic mass effects on the atom total energy and on the electron eigenvalues are discussed.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.1674338</identifier><language>eng</language><subject>ATOMIC MODELS ; CORRELATION ENERGY ; ENERGY ; ENERGY LEVELS ; HARTREE- FOCK METHOD ; N32250 -Physics-Atomic & Molecular Physics-Atomic Theory ; ORBITS ; RELATIVITY THEORY ; SELF-CONSISTENT FIELD ; TRANS 104 ELEMENTS ; TRANSACTINIDE ELEMENTS/energy levels of superheavy, having Z = 118 to 131, self-consistent-field relativistic Hartree-Fock calculations of</subject><ispartof>J. Chem. 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Phys. 53: 2397-2406(15 Sep 1970)</title><description>The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spinp–orbit and direct relativistic effects cause the 8p1/2 electron states to be partially filled before the 7d3/2 states. The inner shell of 5g electrons begins to fill at element 125. The Breit magnetic interaction energy is calculated by a perturbation method; an approximate correlation energy correction is included. Isotopic mass effects on the atom total energy and on the electron eigenvalues are discussed.</description><subject>ATOMIC MODELS</subject><subject>CORRELATION ENERGY</subject><subject>ENERGY</subject><subject>ENERGY LEVELS</subject><subject>HARTREE- FOCK METHOD</subject><subject>N32250 -Physics-Atomic & Molecular Physics-Atomic Theory</subject><subject>ORBITS</subject><subject>RELATIVITY THEORY</subject><subject>SELF-CONSISTENT FIELD</subject><subject>TRANS 104 ELEMENTS</subject><subject>TRANSACTINIDE ELEMENTS/energy levels of superheavy, having Z = 118 to 131, self-consistent-field relativistic Hartree-Fock calculations of</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1970</creationdate><recordtype>article</recordtype><recordid>eNotkM9KAzEYxIMoWKsH3yB487A1X5LNZo-y9I9QEK2eQ5p-oavb3ZKkhd58B9_QJ3FLe5rD_GYYhpB7YCNgSjzBCFQhhdAXZABMl1mhSnZJBoxxyErF1DW5ifGLMQYFlwPytqgm9B0bm-p9HVPt6MyGFBD_fn4nnfumlW3c7mh3baRdS9Ma6WK3xbBGuz_QcYMbbFOkALqPgIBbcuVtE_HurEPyORl_VLNs_jp9qZ7nmROcp8wuZe5yhrrUvsCll6AEt1x4z4vS8cIr7VHzlQSuVyvhrezt3KIAmeeWSzEkD6ferp9toqsTurXr2hZdMhJYWQDvoccT5EIXY0BvtqHe2HAwwMzxMAPmfJj4B0IBXTs</recordid><startdate>19700101</startdate><enddate>19700101</enddate><creator>Mann, Joseph B.</creator><creator>Waber, James T.</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19700101</creationdate><title>SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131</title><author>Mann, Joseph B. ; Waber, James T.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c322t-ab45c50e898f7ebf41632a23ff279c27f68fe82d4128dd3fa432a5ae31455a243</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1970</creationdate><topic>ATOMIC MODELS</topic><topic>CORRELATION ENERGY</topic><topic>ENERGY</topic><topic>ENERGY LEVELS</topic><topic>HARTREE- FOCK METHOD</topic><topic>N32250 -Physics-Atomic & Molecular Physics-Atomic Theory</topic><topic>ORBITS</topic><topic>RELATIVITY THEORY</topic><topic>SELF-CONSISTENT FIELD</topic><topic>TRANS 104 ELEMENTS</topic><topic>TRANSACTINIDE ELEMENTS/energy levels of superheavy, having Z = 118 to 131, self-consistent-field relativistic Hartree-Fock calculations of</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Mann, Joseph B.</creatorcontrib><creatorcontrib>Waber, James T.</creatorcontrib><creatorcontrib>Los Alamos Scientific Lab., N. Mex</creatorcontrib><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>J. Chem. Phys. 53: 2397-2406(15 Sep 1970)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Mann, Joseph B.</au><au>Waber, James T.</au><aucorp>Los Alamos Scientific Lab., N. Mex</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131</atitle><jtitle>J. Chem. Phys. 53: 2397-2406(15 Sep 1970)</jtitle><date>1970-01-01</date><risdate>1970</risdate><volume>53</volume><issue>6</issue><spage>2397</spage><epage>2406</epage><pages>2397-2406</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>The energies of a number of configurations of the elements with atomic numbers 118–131 were computed by means of the relativistic Hartree–Fock method to establish the probable ground states. The series of elements beginning at 121 differs markedly from the lanthanide and actinide series because spinp–orbit and direct relativistic effects cause the 8p1/2 electron states to be partially filled before the 7d3/2 states. The inner shell of 5g electrons begins to fill at element 125. The Breit magnetic interaction energy is calculated by a perturbation method; an approximate correlation energy correction is included. Isotopic mass effects on the atom total energy and on the electron eigenvalues are discussed.</abstract><doi>10.1063/1.1674338</doi><tpages>10</tpages></addata></record> |
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| identifier | ISSN: 0021-9606 |
| ispartof | J. Chem. Phys. 53: 2397-2406(15 Sep 1970), 1970-01, Vol.53 (6), p.2397-2406 |
| issn | 0021-9606 1089-7690 |
| language | eng |
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| source | AIP Digital Archive |
| subjects | ATOMIC MODELS CORRELATION ENERGY ENERGY ENERGY LEVELS HARTREE- FOCK METHOD N32250 -Physics-Atomic & Molecular Physics-Atomic Theory ORBITS RELATIVITY THEORY SELF-CONSISTENT FIELD TRANS 104 ELEMENTS TRANSACTINIDE ELEMENTS/energy levels of superheavy, having Z = 118 to 131, self-consistent-field relativistic Hartree-Fock calculations of |
| title | SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131 |
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