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- W1978602291 abstract "There are somewhat misleading arguments in the recent paper by Fukutome on the unrestricted Hartree-F ock theory of chemical reactions.l) In the present communication, attempts will be made to rectify some of them. Figure 6 of the above-mentioned paper is claimed to be a correct one as the correlation diagrams of the conventional SCF LCAO MO ground state electronic configurations for the exchange reaction of two hydrogen molecules, while Fig. 5 (a) is rejected as not valid. This apparent overstatement seems to have its source in insufficient attention paid to the RHF SCF solution which exists in the square configuration CRt =Rz)." @default.
- W1978602291 created "2016-06-24" @default.
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- W1978602291 date "1973-03-01" @default.
- W1978602291 modified "2023-09-23" @default.
- W1978602291 title "On the Unrestricted Hartree-Fock Theory of Chemical Reactions" @default.
- W1978602291 doi "https://doi.org/10.1143/ptp.49.1050" @default.
- W1978602291 hasPublicationYear "1973" @default.
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