Abstract
The theory of generalized combined orbitals is outlined. This is a development of the theory put forward by Löwdin [3]. Certain spectral characteristics of benzene, diphenyl, and nitrobenzene are calculated and the results are compared with the theory.
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In conclusion the author wishes to thank N. A. Prilezhaevaya, V, I. Danilova and O. A. Ponomarev for many discussions and also L. G. Turovets for carrying out the calculations.
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Plotnikov, V.G. Quantum-mechanical molecular orbital calculations. Soviet Physics Journal 9, 64–65 (1966). https://doi.org/10.1007/BF00818496
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DOI: https://doi.org/10.1007/BF00818496