{"title":"空间分子轨道的衰变性质","authors":"Richard A. Zalik","doi":"10.1016/j.rinam.2025.100540","DOIUrl":null,"url":null,"abstract":"<div><div>Using properties of the Fourier transform we prove that if a Hartree–Fock molecular spatial orbital is in <span><math><mrow><msub><mrow><mi>L</mi></mrow><mrow><mn>1</mn></mrow></msub><mrow><mo>(</mo><msup><mrow><mi>R</mi></mrow><mrow><mn>3</mn></mrow></msup><mo>)</mo></mrow></mrow></math></span>, then it decays to zero as its argument diverges to infinity. The proof is rigorous, elementary and short. Our result implies that occupied orbitals with positive eigenvalues will decay to zero provided they are in <span><math><msub><mrow><mi>L</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>.</div></div>","PeriodicalId":36918,"journal":{"name":"Results in Applied Mathematics","volume":"25 ","pages":"Article 100540"},"PeriodicalIF":1.4000,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Decay properties of spatial molecular orbitals\",\"authors\":\"Richard A. Zalik\",\"doi\":\"10.1016/j.rinam.2025.100540\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Using properties of the Fourier transform we prove that if a Hartree–Fock molecular spatial orbital is in <span><math><mrow><msub><mrow><mi>L</mi></mrow><mrow><mn>1</mn></mrow></msub><mrow><mo>(</mo><msup><mrow><mi>R</mi></mrow><mrow><mn>3</mn></mrow></msup><mo>)</mo></mrow></mrow></math></span>, then it decays to zero as its argument diverges to infinity. The proof is rigorous, elementary and short. Our result implies that occupied orbitals with positive eigenvalues will decay to zero provided they are in <span><math><msub><mrow><mi>L</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>.</div></div>\",\"PeriodicalId\":36918,\"journal\":{\"name\":\"Results in Applied Mathematics\",\"volume\":\"25 \",\"pages\":\"Article 100540\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2025-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Results in Applied Mathematics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2590037425000044\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATHEMATICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Applied Mathematics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2590037425000044","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATHEMATICS, APPLIED","Score":null,"Total":0}
Using properties of the Fourier transform we prove that if a Hartree–Fock molecular spatial orbital is in , then it decays to zero as its argument diverges to infinity. The proof is rigorous, elementary and short. Our result implies that occupied orbitals with positive eigenvalues will decay to zero provided they are in .