{"id":4104,"date":"2026-03-14T14:04:10","date_gmt":"2026-03-14T05:04:10","guid":{"rendered":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/?p=4104"},"modified":"2026-03-14T14:04:10","modified_gmt":"2026-03-14T05:04:10","slug":"kurri-tr-141","status":"publish","type":"post","link":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/kurri-tr-141\/","title":{"rendered":"KURRI-TR-141"},"content":{"rendered":"\n
\"\"<\/figure>\n\n\n\n

Interpretation of Mossbauer Parameters on the Basis of Molecular Orbital Theor<\/p>\n\n\n\n

Alfred Trautwein<\/p>\n\n\n\n

Contents<\/strong><\/p>\n\n\n\n

\u2160. Introduction<\/p>\n\n\n\n

\u2161. The Energy Expression for a Closed-Shell Configuration<\/p>\n\n\n\n

\u2162. The Concept of Self-Consistency<\/p>\n\n\n\n

\u2163. The Limitations of a Free-Ion or Crystal Field Approach<\/p>\n\n\n\n

\u2164. Molecular Cluster Approach<\/p>\n\n\n\n

\u2165. Electron Density<\/p>\n\n\n\n

1. Ab Initio Calculations<\/p>\n\n\n\n

2. Approximate Molecular Orbital Calculations<\/p>\n\n\n\n

3. Isomershift and Electronegativities<\/p>\n\n\n\n

\u2166. Quadrupole Splitting<\/p>\n\n\n\n

1. The Electric Field Gradient Tensor<\/p>\n\n\n\n

2. Temperature Independent Quadrupole Splitting<\/p>\n\n\n\n

3. Temperature Dependent Quadrupole Splitting<\/p>\n\n\n\n

4. Magnetically Induced Quadrupole Splitting<\/p>\n\n\n\n

\u2167. Magnetic Hyperfine Interaction<\/p>\n\n\n\n

1. General<\/p>\n\n\n\n

2. A Qualitative Example<\/p>\n\n\n\n

\u2168. Conclusion<\/p>\n\n\n\n

\u2169. References<\/p>\n","protected":false},"excerpt":{"rendered":"

Interpretation of Mossbauer Parameters on the Basis of Molecular Orbital Theor Alfred Trautwein Contents \u2160. In […]<\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"","sticky":false,"template":"12","format":"standard","meta":{"_uag_custom_page_level_css":"","_locale":"ja","_original_post":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/?p=4104","footnotes":""},"categories":[17],"tags":[],"class_list":["post-4104","post","type-post","status-publish","format-standard","hentry","category-technical-repprt","ja"],"uagb_featured_image_src":{"full":false,"thumbnail":false,"medium":false,"medium_large":false,"large":false,"1536x1536":false,"2048x2048":false},"uagb_author_info":{"display_name":"nakatani","author_link":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/author\/nakatani\/"},"uagb_comment_info":0,"uagb_excerpt":"Interpretation of Mossbauer Parameters on the Basis of …","_links":{"self":[{"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/posts\/4104","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/users\/8"}],"replies":[{"embeddable":true,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/comments?post=4104"}],"version-history":[{"count":1,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/posts\/4104\/revisions"}],"predecessor-version":[{"id":4105,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/posts\/4104\/revisions\/4105"}],"wp:attachment":[{"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/media?parent=4104"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/categories?post=4104"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/adm.rri.kyoto-u.ac.jp\/pub\/wp-json\/wp\/v2\/tags?post=4104"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}