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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2010650101> ?p ?o ?g. }

• W2010650101 abstract "Abstract The transition operator method of calculating ΔESCF ionization and excitation energies using a single calculation, is generalized to embrace any energy change and any variational treatment using approximate wavefunctions. The transition functional obtained is justified using perturbational and variational arguments. The applications of the method are discussed, along with a concrete example, namely a semi-empirical VB treatment of Li3 and Li3+." @default.
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• W2010650101 date "1977-09-01" @default.
• W2010650101 modified "2023-09-27" @default.
• W2010650101 title "On the transition functional method" @default.
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• W2010650101 doi "https://doi.org/10.1016/0301-0104(77)85101-x" @default.
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