Trapped thickness-twist modes in an inhomogeneous piezoelectric plate |
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| Authors: | E B Starikov |
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| Institution: | Karolinska Institute, Department of Biosciences at NOVUM, Center for Structural Biochemistry , S-141 57 Huddinge, Sweden |
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| Abstract: | The parameters of an extended Hubbard Hamiltonian for poly(dA)–poly(dT) and poly(dG)–poly(dC) homopolynucleotide duplexes in A- and B-deoxyribonucleic acid (DNA) geometries have been estimated within the framework of the Fortunelli–Painelli dimer model using Hartree–Fock semiempirical quantum chemistry reinforced by a configuration interaction scheme to include one- and two-electron excitations. It is tentatively concluded that inclusion of electron correlations is essential in treating DNA duplexes. |
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