{"title":"新的相空间公式和量子动力学方法","authors":"Xin He, Baihua Wu, Youhao Shang, Bingqi Li, Xiangsong Cheng, Jian Liu","doi":"10.1002/wcms.1619","DOIUrl":null,"url":null,"abstract":"<p>We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-momentum phase space for discrete-variable quantum systems. This leads to a general coordinate-momentum phase space formulation of composite quantum systems, where conventional representations on infinite phase space are employed for continuous variables. It is convenient to utilize (weighted) constraint coordinate-momentum phase space for representing the quantum state and describing nonclassical features. Various numerical tests demonstrate that new trajectory-based quantum dynamics approaches derived from the (weighted) constraint phase space representation are useful and practical for describing dynamical processes of composite quantum systems in the gas phase as well as in the condensed phase.</p><p>This article is categorized under:\n </p>","PeriodicalId":236,"journal":{"name":"Wiley Interdisciplinary Reviews: Computational Molecular Science","volume":"12 6","pages":""},"PeriodicalIF":16.8000,"publicationDate":"2022-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"6","resultStr":"{\"title\":\"New phase space formulations and quantum dynamics approaches\",\"authors\":\"Xin He, Baihua Wu, Youhao Shang, Bingqi Li, Xiangsong Cheng, Jian Liu\",\"doi\":\"10.1002/wcms.1619\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-momentum phase space for discrete-variable quantum systems. This leads to a general coordinate-momentum phase space formulation of composite quantum systems, where conventional representations on infinite phase space are employed for continuous variables. It is convenient to utilize (weighted) constraint coordinate-momentum phase space for representing the quantum state and describing nonclassical features. Various numerical tests demonstrate that new trajectory-based quantum dynamics approaches derived from the (weighted) constraint phase space representation are useful and practical for describing dynamical processes of composite quantum systems in the gas phase as well as in the condensed phase.</p><p>This article is categorized under:\\n </p>\",\"PeriodicalId\":236,\"journal\":{\"name\":\"Wiley Interdisciplinary Reviews: Computational Molecular Science\",\"volume\":\"12 6\",\"pages\":\"\"},\"PeriodicalIF\":16.8000,\"publicationDate\":\"2022-05-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"6\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Wiley Interdisciplinary Reviews: Computational Molecular Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/wcms.1619\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Wiley Interdisciplinary Reviews: Computational Molecular Science","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/wcms.1619","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
New phase space formulations and quantum dynamics approaches
We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-momentum phase space for discrete-variable quantum systems. This leads to a general coordinate-momentum phase space formulation of composite quantum systems, where conventional representations on infinite phase space are employed for continuous variables. It is convenient to utilize (weighted) constraint coordinate-momentum phase space for representing the quantum state and describing nonclassical features. Various numerical tests demonstrate that new trajectory-based quantum dynamics approaches derived from the (weighted) constraint phase space representation are useful and practical for describing dynamical processes of composite quantum systems in the gas phase as well as in the condensed phase.
期刊介绍：
Computational molecular sciences harness the power of rigorous chemical and physical theories, employing computer-based modeling, specialized hardware, software development, algorithm design, and database management to explore and illuminate every facet of molecular sciences. These interdisciplinary approaches form a bridge between chemistry, biology, and materials sciences, establishing connections with adjacent application-driven fields in both chemistry and biology. WIREs Computational Molecular Science stands as a platform to comprehensively review and spotlight research from these dynamic and interconnected fields.
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