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- W2075348524 abstract "This paper describes the application of the method of non-paired spatial orbitals to systems of two, three and four π-electrons using ab initio methods at the minimal basis set level. For the allyl radical the method recovers almost all the π-electron correlation energy. The results for the four electron systems of the allyl anion, ozone, the nitrite ion and the formate ion indicate that the method effectively allows for electron correlation. In the case of the allyl cation almost half of the π-electron correlation energy is obtained." @default.
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- W2075348524 date "1976-05-01" @default.
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- W2075348524 title "Ab initionon-paired spatial orbital wavefunctions" @default.
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- W2075348524 doi "https://doi.org/10.1080/00268977600101181" @default.
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