Winfried Auzinger , Juliette Dubois , Karsten Held , Harald Hofstätter , Tobias Jawecki , Anna Kauch , Othmar Koch , Karolina Kropielnicka , Pranav Singh , Clemens Watzenböck
{"title":"哈伯德模型中太阳能转换的高效magnus型积分器","authors":"Winfried Auzinger , Juliette Dubois , Karsten Held , Harald Hofstätter , Tobias Jawecki , Anna Kauch , Othmar Koch , Karolina Kropielnicka , Pranav Singh , Clemens Watzenböck","doi":"10.1016/j.jcmds.2021.100018","DOIUrl":null,"url":null,"abstract":"<div><p>Strongly interacting electrons in solids are generically described by Hubbard-type models, and the impact of solar light can be modeled by an additional time-dependence. This yields a finite dimensional system of ordinary differential equations (ODE)s of Schrödinger type, which can be solved numerically by exponential time integrators of Magnus type. The efficiency may be enhanced by combining these with operator splittings. We will discuss several different approaches of employing exponential-based methods in conjunction with an adaptive Lanczos method for the evaluation of matrix exponentials and compare their accuracy and efficiency. For each integrator, we use defect-based local error estimators to enable adaptive time-stepping. This serves to reliably control the approximation error and reduce the computational effort.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"2 ","pages":"Article 100018"},"PeriodicalIF":0.0000,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415821000092/pdfft?md5=590584d4f65c840eab1611635313b807&pid=1-s2.0-S2772415821000092-main.pdf","citationCount":"3","resultStr":"{\"title\":\"Efficient Magnus-type integrators for solar energy conversion in Hubbard models\",\"authors\":\"Winfried Auzinger , Juliette Dubois , Karsten Held , Harald Hofstätter , Tobias Jawecki , Anna Kauch , Othmar Koch , Karolina Kropielnicka , Pranav Singh , Clemens Watzenböck\",\"doi\":\"10.1016/j.jcmds.2021.100018\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Strongly interacting electrons in solids are generically described by Hubbard-type models, and the impact of solar light can be modeled by an additional time-dependence. This yields a finite dimensional system of ordinary differential equations (ODE)s of Schrödinger type, which can be solved numerically by exponential time integrators of Magnus type. The efficiency may be enhanced by combining these with operator splittings. We will discuss several different approaches of employing exponential-based methods in conjunction with an adaptive Lanczos method for the evaluation of matrix exponentials and compare their accuracy and efficiency. For each integrator, we use defect-based local error estimators to enable adaptive time-stepping. This serves to reliably control the approximation error and reduce the computational effort.</p></div>\",\"PeriodicalId\":100768,\"journal\":{\"name\":\"Journal of Computational Mathematics and Data Science\",\"volume\":\"2 \",\"pages\":\"Article 100018\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2772415821000092/pdfft?md5=590584d4f65c840eab1611635313b807&pid=1-s2.0-S2772415821000092-main.pdf\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Computational Mathematics and Data Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2772415821000092\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Mathematics and Data Science","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2772415821000092","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Efficient Magnus-type integrators for solar energy conversion in Hubbard models
Strongly interacting electrons in solids are generically described by Hubbard-type models, and the impact of solar light can be modeled by an additional time-dependence. This yields a finite dimensional system of ordinary differential equations (ODE)s of Schrödinger type, which can be solved numerically by exponential time integrators of Magnus type. The efficiency may be enhanced by combining these with operator splittings. We will discuss several different approaches of employing exponential-based methods in conjunction with an adaptive Lanczos method for the evaluation of matrix exponentials and compare their accuracy and efficiency. For each integrator, we use defect-based local error estimators to enable adaptive time-stepping. This serves to reliably control the approximation error and reduce the computational effort.