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- W1993558996 abstract "The application of the Alternant Molecular Orbital method to solids has been hampered both by the need to use a cubic Fermi volume as the reference system and by the belief that the AMO state is always an insulating state. We demonstrate here, however, that a simple relabeling of the AMO “occupied” and “virtual” states in an extended zone scheme allows one to use any Fermi volume for the reference state. Furthermore, the AMO state will now represent a metallic or insulating system depending on the presence of partially filled bands. We have applied the method to the interacting electron gas with BCC symmetry and find a metal-insulator transition at approximately rs = 50." @default.
- W1993558996 created "2016-06-24" @default.
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- W1993558996 date "2009-06-19" @default.
- W1993558996 modified "2023-09-25" @default.
- W1993558996 title "Avoiding orthogonality problems in the application of the alternant molecular orbital method to solids" @default.
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- W1993558996 doi "https://doi.org/10.1002/qua.560280858" @default.
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