Erratum: Inverse problems in quantum chemistry

Inverse Problems for Quantum Trees

Three different inverse problems for the Schrödinger operator on a metric tree are considered, so far with standard boundary conditions at the vertices. These inverse problems are connected with the matrix Titchmarsh-Weyl function, response operator (dynamic Dirichlet-to-Neumann map) and scattering matrix. Our approach is based on the boundary control (BC) method and in particular on the study ...

The Inverse Problems for Some Topological Indices in Combinatorial Chemistry

In the original paper, Goldman et al. (2000) launched the study of the inverse problems in combinatorial chemistry, which is closely related to the design of combinatorial libraries for drug discovery. Following their ideas, we investigate four other topological indices, i.e., the sigma-index, the c-index, the Z-index, and the M(1)-index, with a special emphasis on the sigma-index. Like the Wie...

Erratum: “Perspectives of relativistic quantum chemistry: The neg-

Although claimed for a many electron system, some of the (nonradiative and nonretarded) QED energy expressions (i.e., Eqs. (92), (95), and (107)) in Ref.1 are found to hold only for the special case of two electrons. In particular, except for the diagrams considered before (see Figs. (3a) to (3h)), the socalled three-electron-two-photon diagram2 shown in Fig. (3i) should also be included for th...

ERRATUM: Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance

Application of Computational Quantum Chemistry to Nanotechnological Problems

Computer modeling and simulation are crucial in understanding and controlling structure-property relations by explaining experimental data and by revealing critical conceptual issues about the underlying mechanisms whose resolution requires excessive experimentation. There is a great increasing demand in methodological development due to a high complexity of real-life nanotechnology systems of ...