Development of Linear-Scaling Relativistic Quantum Chemistry Covering the Periodic Table

Linear-Scaling Methods in Quantum Chemistry

With the introduction of the Schrödinger equation in 1926, it was in principle clear how to describe a molecular system and its properties exactly in a nonrelativistic sense. However, for most molecular systems of chemical interest, the analytic solution of the Schrödinger equation is not possible. Therefore, since 1926, a multitude of hierarchical approximations (some of which are displayed in...

The physics behind chemistry and the periodic table.

Quantum-mechanical Description of Mendeleev Periodic Table

Contents 1. Introduction 2. Historical notes 3. The atomic models 4. The first quantum atomic model 5. The standard Schrödinger quantum hydrogen atom 5.1. The azimuthal solution and the magnetic quantum number 5.2. The polar solution and the orbital quantum number 5.3. Polar and azimuthal solutions set together 5.4. The radial solution and the principal quantum number 5.5. Final formulas for th...

the impact of morphological awareness on the vocabulary development of the iranian efl students

this study investigated the impact of explicit instruction of morphemic analysis and synthesis on the vocabulary development of the students. the participants were 90 junior high school students divided into two experimental groups and one control group. morphological awareness techniques (analysis/synthesis) and conventional techniques were used to teach vocabulary in the experimental groups a...

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...