The ESRg matrix for strong field d5 systems
This review has tried to collect and correlate all the various equations for the g matrix of strong field d5 systems obtained from different basis sets using full electron and hole formalism calculations. It has corrected mistakes found in the literature and shown how the failure to properly take in...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
1998-01-01
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| Series: | Química Nova |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421998000200017 |
| _version_ | 1818303233587675136 |
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| author | McGarvey Bruce R. |
| author_facet | McGarvey Bruce R. |
| author_sort | McGarvey Bruce R. |
| collection | DOAJ |
| description | This review has tried to collect and correlate all the various equations for the g matrix of strong field d5 systems obtained from different basis sets using full electron and hole formalism calculations. It has corrected mistakes found in the literature and shown how the failure to properly take in symmetry boundary conditions has produced a variety of apparently inconsistent equations in the literature. The review has reexamined the problem of spin-orbit interaction with excited t4e states and finds that the earlier reports that it is zero in octahedral symmetry is not correct. It has shown how redefining what x, y, and z are in the principal coordinate system simplifies, compared to previous methods, the analysis of experimental g values with the equations. |
| first_indexed | 2024-12-13T05:51:33Z |
| format | Article |
| id | doaj.art-28d3fc15f9364229b25374198d409a22 |
| institution | Directory Open Access Journal |
| issn | 0100-4042 1678-7064 |
| language | English |
| last_indexed | 2024-12-13T05:51:33Z |
| publishDate | 1998-01-01 |
| publisher | Sociedade Brasileira de Química |
| record_format | Article |
| series | Química Nova |
| spelling | doaj.art-28d3fc15f9364229b25374198d409a222022-12-21T23:57:32ZengSociedade Brasileira de QuímicaQuímica Nova0100-40421678-70641998-01-01212206213The ESRg matrix for strong field d5 systemsMcGarvey Bruce R.This review has tried to collect and correlate all the various equations for the g matrix of strong field d5 systems obtained from different basis sets using full electron and hole formalism calculations. It has corrected mistakes found in the literature and shown how the failure to properly take in symmetry boundary conditions has produced a variety of apparently inconsistent equations in the literature. The review has reexamined the problem of spin-orbit interaction with excited t4e states and finds that the earlier reports that it is zero in octahedral symmetry is not correct. It has shown how redefining what x, y, and z are in the principal coordinate system simplifies, compared to previous methods, the analysis of experimental g values with the equations.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421998000200017ESRg matrixstrong field d5 |
| spellingShingle | McGarvey Bruce R. The ESRg matrix for strong field d5 systems Química Nova ESR g matrix strong field d5 |
| title | The ESRg matrix for strong field d5 systems |
| title_full | The ESRg matrix for strong field d5 systems |
| title_fullStr | The ESRg matrix for strong field d5 systems |
| title_full_unstemmed | The ESRg matrix for strong field d5 systems |
| title_short | The ESRg matrix for strong field d5 systems |
| title_sort | esrg matrix for strong field d5 systems |
| topic | ESR g matrix strong field d5 |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421998000200017 |
| work_keys_str_mv | AT mcgarveybrucer theesrgmatrixforstrongfieldd5systems AT mcgarveybrucer esrgmatrixforstrongfieldd5systems |