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free continuum states- are these ever included?
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mike marchywka
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Nov 14, 2025, 6:49:35 PM (8 days ago)
Nov 14
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Looking at some earlier work on hydrogen the authors suggest the free unbound
continuum states are important to getting the right answer. Are these ever
considered in current codes ? All I've seen is number of states and maybe something
about the vacuum level. IIRC in the equation-of-motion codes the continuum was
a problem. Does this contribution go away in larger molecules or infinite periodic
solids?
https://lucris.lub.lu.se/ws/portalfiles/portal/1680197/2968980.pdf
https://www.researchgate.net/profile/Yasutami-Takada/publication/243566114_Strong_Electron_Correlation_in_a_Localized_State_Described_in_Terms_of_Extended_States_General_Formulation_and_Illustration_in_a_Helium_Atom/links/544ef00a0cf29473161becb5/Strong-Electron-Correlation-in-a-Localized-State-Described-in-Terms-of-Extended-States-General-Formulation-and-Illustration-in-a-Helium-Atom.pdf
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