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Evaluation of relativistic atomic integrals using perimetric coordinates
Author(s) -
LeyKoo E.,
Bunge C. F.,
Jáuregui R.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)63:1<93::aid-qua12>3.0.co;2-7
Subject(s) - simple (philosophy) , slater integrals , variable (mathematics) , relativistic quantum chemistry , physics , electron , atomic nucleus , order of integration (calculus) , atomic physics , computational chemistry , chemistry , quantum mechanics , mathematics , mathematical analysis , philosophy , epistemology
Calais and Löwdin developed a simple method using the interelectronic distance as an integration variable to treat two‐electron integrals occurring in correlated nonrelativistic atomic calculations. This contribution merges their method with a related one to further evaluate two‐body integrals occurring in relativistic configuration interaction calculations. © 1997 John Wiley & Sons, Inc.