{"title":"密度泛函理论热力学格式中的相空间Fisher信息和r<s:1>熵","authors":"Á Nagy","doi":"10.1007/s12039-025-02413-7","DOIUrl":null,"url":null,"abstract":"<p>The link between the phase-space Fisher information and Rényi entropy is explored in the thermodynamic scheme of density functional theory. The momentum-space part of the phase-space Rényi entropy can be expressed with the phase-space Fisher information in the case of constant temperature. Both measures can be given by the kinetic energy. Moreover, in Coulomb systems they can be related to the total energy as well as energy differences, and excitation energies can also be provided by these information measures.</p><p>Link between the phase-space Fisher information and R´enyi entropy is established in the thermodynamic scheme of density functional theory. The position and momentum parts of the Rényi entropy are investigated in case of constant temperature. </p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 4","pages":""},"PeriodicalIF":2.0000,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase-space Fisher information and Rényi entropy in the thermodynamic scheme of density functional theory\",\"authors\":\"Á Nagy\",\"doi\":\"10.1007/s12039-025-02413-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The link between the phase-space Fisher information and Rényi entropy is explored in the thermodynamic scheme of density functional theory. The momentum-space part of the phase-space Rényi entropy can be expressed with the phase-space Fisher information in the case of constant temperature. Both measures can be given by the kinetic energy. Moreover, in Coulomb systems they can be related to the total energy as well as energy differences, and excitation energies can also be provided by these information measures.</p><p>Link between the phase-space Fisher information and R´enyi entropy is established in the thermodynamic scheme of density functional theory. The position and momentum parts of the Rényi entropy are investigated in case of constant temperature. </p>\",\"PeriodicalId\":616,\"journal\":{\"name\":\"Journal of Chemical Sciences\",\"volume\":\"137 4\",\"pages\":\"\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-10-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Sciences\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12039-025-02413-7\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Sciences","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s12039-025-02413-7","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Phase-space Fisher information and Rényi entropy in the thermodynamic scheme of density functional theory
The link between the phase-space Fisher information and Rényi entropy is explored in the thermodynamic scheme of density functional theory. The momentum-space part of the phase-space Rényi entropy can be expressed with the phase-space Fisher information in the case of constant temperature. Both measures can be given by the kinetic energy. Moreover, in Coulomb systems they can be related to the total energy as well as energy differences, and excitation energies can also be provided by these information measures.
Link between the phase-space Fisher information and R´enyi entropy is established in the thermodynamic scheme of density functional theory. The position and momentum parts of the Rényi entropy are investigated in case of constant temperature.
期刊介绍：
Journal of Chemical Sciences is a monthly journal published by the Indian Academy of Sciences. It formed part of the original Proceedings of the Indian Academy of Sciences – Part A, started by the Nobel Laureate Prof C V Raman in 1934, that was split in 1978 into three separate journals. It was renamed as Journal of Chemical Sciences in 2004. The journal publishes original research articles and rapid communications, covering all areas of chemical sciences. A significant feature of the journal is its special issues, brought out from time to time, devoted to conference symposia/proceedings in frontier areas of the subject, held not only in India but also in other countries.
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