Andrey V. Popov , Olga S. Melnikova , Natalia V. Melnikova
{"title":"Electronic structure of excited states in carbon monoxide","authors":"Andrey V. Popov , Olga S. Melnikova , Natalia V. Melnikova","doi":"10.1016/j.ssc.2024.115713","DOIUrl":null,"url":null,"abstract":"<div><div>A general theoretical approach to modeling electronic excited states based on a non-Hermitian Hamiltonian is proposed. The proposed analytical model has several advantages. Firstly, it allows all excited states to be targeted by specifying a single excitation parameter. Consequently, all states (ground or excited) are treated equally. Secondly, it allows the consideration of excitations of any nature and power. Thirdly, it provides an estimation of the lifetime of the excited states using a unified approach. We provide a theoretical investigation of the new metastable states in carbon monoxide using this approach. Finally, the electronic structure and the decay time of the excited states in carbon monoxide are discussed.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115713"},"PeriodicalIF":2.1000,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038109824002904","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
A general theoretical approach to modeling electronic excited states based on a non-Hermitian Hamiltonian is proposed. The proposed analytical model has several advantages. Firstly, it allows all excited states to be targeted by specifying a single excitation parameter. Consequently, all states (ground or excited) are treated equally. Secondly, it allows the consideration of excitations of any nature and power. Thirdly, it provides an estimation of the lifetime of the excited states using a unified approach. We provide a theoretical investigation of the new metastable states in carbon monoxide using this approach. Finally, the electronic structure and the decay time of the excited states in carbon monoxide are discussed.
期刊介绍：
Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged.
A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions.
The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.
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