A new version of the general program to calculate atomic continuum processes using the r-matrix method
Title of program: A NEW VERSION OF RMATRX STG1 Catalogue Id: AAHF_v1_0 Nature of problem This program calculates all one-electron, two-electron and multipole radial integrals involving bound and continuum orbitals. These radial integrals enable electron-atom or -ion scattering, photoionization or fr...
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creator | Berrington, K.A. |
description | Title of program: A NEW VERSION OF RMATRX STG1 Catalogue Id: AAHF_v1_0 Nature of problem This program calculates all one-electron, two-electron and multipole radial integrals involving bound and continuum orbitals. These radial integrals enable electron-atom or -ion scattering, photoionization or frequency dependent polarizabilities to be calculated for a general atomic system. The bound orbitals are specified analytically. The continuum orbitals are calculated by the program. The integrals are stored on a magnetic tape or disc file for use by A NEW VERSION of RMATRX STG2. Versions of this program held in the CPC repository in Mendeley Data AAHF_v1_0; A NEW VERSION OF RMATRX STG1; 10.1016/0010-4655(78)90004-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019) |
doi_str_mv | 10.17632/5gvkdbt657 |
format | Dataset |
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These radial integrals enable electron-atom or -ion scattering, photoionization or frequency dependent polarizabilities to be calculated for a general atomic system. The bound orbitals are specified analytically. The continuum orbitals are calculated by the program. The integrals are stored on a magnetic tape or disc file for use by A NEW VERSION of RMATRX STG2. Versions of this program held in the CPC repository in Mendeley Data AAHF_v1_0; A NEW VERSION OF RMATRX STG1; 10.1016/0010-4655(78)90004-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)</description><identifier>DOI: 10.17632/5gvkdbt657</identifier><language>eng</language><publisher>Mendeley</publisher><subject>Atomic Physics ; Computational Physics</subject><creationdate>2019</creationdate><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>780,1894</link.rule.ids><linktorsrc>$$Uhttps://commons.datacite.org/doi.org/10.17632/5gvkdbt657$$EView_record_in_DataCite.org$$FView_record_in_$$GDataCite.org$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Berrington, K.A.</creatorcontrib><title>A new version of the general program to calculate atomic continuum processes using the r-matrix method</title><description>Title of program: A NEW VERSION OF RMATRX STG1 Catalogue Id: AAHF_v1_0 Nature of problem This program calculates all one-electron, two-electron and multipole radial integrals involving bound and continuum orbitals. These radial integrals enable electron-atom or -ion scattering, photoionization or frequency dependent polarizabilities to be calculated for a general atomic system. The bound orbitals are specified analytically. The continuum orbitals are calculated by the program. The integrals are stored on a magnetic tape or disc file for use by A NEW VERSION of RMATRX STG2. Versions of this program held in the CPC repository in Mendeley Data AAHF_v1_0; A NEW VERSION OF RMATRX STG1; 10.1016/0010-4655(78)90004-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)</description><subject>Atomic Physics</subject><subject>Computational Physics</subject><fulltext>true</fulltext><rsrctype>dataset</rsrctype><creationdate>2019</creationdate><recordtype>dataset</recordtype><sourceid>PQ8</sourceid><recordid>eNqVjrEKwjAUALM4iDr5A2-XamtpO4sofoB7eKavbbBJSvJS9e_FIjg73XIcJ8Q6S7dZVeb7XdGO9_rGZVHNRXMASw8YyQftLLgGuCNoyZLHHgbvWo8G2IHCXsUemQDZGa1AOcvaxmg-lqIQKEAM2rZTwScG2esnGOLO1Usxa7APtPpyITbn0_V4SWpkVJpJDl4b9C-ZpXK6lL_L_D_7DWvaTQ4</recordid><startdate>20191205</startdate><enddate>20191205</enddate><creator>Berrington, K.A.</creator><general>Mendeley</general><scope>DYCCY</scope><scope>PQ8</scope></search><sort><creationdate>20191205</creationdate><title>A new version of the general program to calculate atomic continuum processes using the r-matrix method</title><author>Berrington, K.A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-datacite_primary_10_17632_5gvkdbt6573</frbrgroupid><rsrctype>datasets</rsrctype><prefilter>datasets</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Atomic Physics</topic><topic>Computational Physics</topic><toplevel>online_resources</toplevel><creatorcontrib>Berrington, K.A.</creatorcontrib><collection>DataCite (Open Access)</collection><collection>DataCite</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Berrington, K.A.</au><format>book</format><genre>unknown</genre><ristype>DATA</ristype><title>A new version of the general program to calculate atomic continuum processes using the r-matrix method</title><date>2019-12-05</date><risdate>2019</risdate><abstract>Title of program: A NEW VERSION OF RMATRX STG1 Catalogue Id: AAHF_v1_0 Nature of problem This program calculates all one-electron, two-electron and multipole radial integrals involving bound and continuum orbitals. These radial integrals enable electron-atom or -ion scattering, photoionization or frequency dependent polarizabilities to be calculated for a general atomic system. The bound orbitals are specified analytically. The continuum orbitals are calculated by the program. The integrals are stored on a magnetic tape or disc file for use by A NEW VERSION of RMATRX STG2. Versions of this program held in the CPC repository in Mendeley Data AAHF_v1_0; A NEW VERSION OF RMATRX STG1; 10.1016/0010-4655(78)90004-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)</abstract><pub>Mendeley</pub><doi>10.17632/5gvkdbt657</doi><oa>free_for_read</oa></addata></record> |
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identifier | DOI: 10.17632/5gvkdbt657 |
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subjects | Atomic Physics Computational Physics |
title | A new version of the general program to calculate atomic continuum processes using the r-matrix method |
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