MAGNETIC AND CORRELATION EFFECTS IN A NON-CLOSED-SHELL LINEAR CHAINReport as inadecuate




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Abstract : Magnetic and correlation effects in a linear chain consisting of 4n hydrogen atoms arranged in the form of a regular polygon of 4n sides are studied within the framework of the extended Hartree-Fock method through the use of different Bloch functions for different spins. Numerical results for the n = 3 case are presented, with interactions between all neighbors evaluated for interatomic distances that range from one to five Bohr radii.





Author: W. Kwo

Source: https://hal.archives-ouvertes.fr/



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