Fast And Accurate Electronic Structure Methods For Predicting Molecular Properties Of Large Correlated Systems

Fast and Accurate Electronic Structure Methods for Predicting Molecular Properties of Large Correlated Systems

Structure Property Correlations for Nanoporous Materials

Nanoporous materials are critical to various fields of research, including ion exchange, separation, catalysis, sensor applications, biological molecular isolation, and purification. In addition, they offer new opportunities in such areas as inclusion chemistry, guest-host synthesis, and molecular manipulations and reactions at the nanoscale. In St

Computational Methods for Large Systems

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.