The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

An overview of wavefunction-based correlation methods generalised for the application to
solids is presented. Those methods based on a preceding Hartree–Fock treatment explicitly …

DNA forms a self-assembled structure that we can control by programming the base
sequence, thus has the potential as a bottom-up material for nano-templates and nano …

YA Berlin, IV Kurnikow, D. Beratan, MA Ratner, AL Burin: DNA Electron Transfer Processes:
Some Theoretical Notions; N. Rosch, AA Voityuk: Quantum Chemical Calculation of Donor …

First the correct expression of charge mobilities in the one-dimensional (1-D) case in the
deformation potential approximation are derived in detail. They differ substantially from the …

We present a comparison between experimental and calculated soft X-ray spectra of DNA's
nucleobases, adenine (A), guanine (G), cytosine (C), and thymine (T) using X-ray absorption …

The electronic band structures and total density of states based on a density-functional
theory are performed on four deoxyribonucleic acid (DNA) molecules: namely, A-and B-type …

Hartree–Fock and correlation corrected band structure calculation methods for periodic
polymers are described together with many applications. The ionization potentials and gaps …

Temperature-induced dynamic disorder is one of the great unknowns in charge transport
through DNA and DNA-related systems. Using guanine crystals as a model system, we …

The electronic-structure theory of solids is presently dominated by density-functional
methods which avoid calculations of the many-body wavefunction, and instead compute …