Wannier-function-basedab initioHartree-Fock approach extended to polymers: Applications to the LiH chain andtrans-polyacetylene
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چکیده
منابع مشابه
A Wannier function based ab initio Hartree-Fock approach extended to polymers: applications to the LiH chain and trans-polyacetylene
A recently proposed ab initio Hartree-Fock approach aimed at directly obtaining the Wannier functions of a crystalline insulator is applied to polymers. The systems considered are the LiH chain and trans-polyacetylene. In addition to being the first application of our approach to one-dimensional systems, this work also demonstrates its applicability to covalent systems. Both minimal as well as ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1998
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.58.4325