The CDW transition with tripling of the period along the chains in quasi 1d crystals
✍ Scribed by L.N. Bulaevskii; A.I. Buzdin; D.I. Khomskii
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 657 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0038-1098
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## Abstract The Coupled Perturbed Hartree–Fock (CPHF) scheme has been implemented in the CRYSTAL06 program, that uses a gaussian type basis set, for systems periodic in 1D (polymers), 2D (slabs), 3D (crystals) and, as a limiting case, 0D (molecules), which enables comparison with molecular codes. C
## Abstract The unusual grinding effects observed in the 1D spin crossover polymer [FeL(bipy)]__~n~__ (**1**), with L being a tetradentate N~2~O~2~^2–^ coordinating Schiff base type ligand {(3,3′)‐[1,2‐phenylenebis(iminomethylidyne)]bis(2,4‐pentanedionato)(2–)‐__N,N′,O^2^,O^2^′__} and bipy = 4,4′‐b