{"title":"Schrödinger方程数值解的p稳定八阶代数方法","authors":"A. Konguetsof, T.E. Simos","doi":"10.1016/S0097-8485(01)00085-7","DOIUrl":null,"url":null,"abstract":"<div><p>A P-stable method of algebraic order eight for the approximate numerical integration of the Schrödinger equation is developed in this paper. Since the method is P-stable (i.e. its interval of periodicity is equal to (0, ∞)), large step sizes for the numerical integration can be used. Based on this new method and on a sixth algebraic order P-stable method developed by Simos (Phys. Scripta 55 (1997) 644–650), a new variable step method is obtained. Numerical results presented for the phase-shift problem of the radial Schrödinger equation and for the coupled differential equations arising from the Schrödinger equation show the efficiency of the developed method.</p></div>","PeriodicalId":79331,"journal":{"name":"Computers & chemistry","volume":"26 2","pages":"Pages 105-111"},"PeriodicalIF":0.0000,"publicationDate":"2002-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0097-8485(01)00085-7","citationCount":"7","resultStr":"{\"title\":\"P-stable eighth algebraic order methods for the numerical solution of the Schrödinger equation\",\"authors\":\"A. Konguetsof, T.E. Simos\",\"doi\":\"10.1016/S0097-8485(01)00085-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A P-stable method of algebraic order eight for the approximate numerical integration of the Schrödinger equation is developed in this paper. Since the method is P-stable (i.e. its interval of periodicity is equal to (0, ∞)), large step sizes for the numerical integration can be used. Based on this new method and on a sixth algebraic order P-stable method developed by Simos (Phys. Scripta 55 (1997) 644–650), a new variable step method is obtained. Numerical results presented for the phase-shift problem of the radial Schrödinger equation and for the coupled differential equations arising from the Schrödinger equation show the efficiency of the developed method.</p></div>\",\"PeriodicalId\":79331,\"journal\":{\"name\":\"Computers & chemistry\",\"volume\":\"26 2\",\"pages\":\"Pages 105-111\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2002-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S0097-8485(01)00085-7\",\"citationCount\":\"7\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers & chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0097848501000857\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers & chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0097848501000857","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
P-stable eighth algebraic order methods for the numerical solution of the Schrödinger equation
A P-stable method of algebraic order eight for the approximate numerical integration of the Schrödinger equation is developed in this paper. Since the method is P-stable (i.e. its interval of periodicity is equal to (0, ∞)), large step sizes for the numerical integration can be used. Based on this new method and on a sixth algebraic order P-stable method developed by Simos (Phys. Scripta 55 (1997) 644–650), a new variable step method is obtained. Numerical results presented for the phase-shift problem of the radial Schrödinger equation and for the coupled differential equations arising from the Schrödinger equation show the efficiency of the developed method.