Quantum Chemistry Based Methods of Modeling of Clusters and their Applications to the Problems of Gasdynamics.

摘要

Different methods of calculation of clusters are concerned from the quantum chemistry point of view. Results obtained with the help of these methods for carbon, water sulfur, alkane are discussed. On the base of this discussion an effort is made to classify the gasdynamics problems in which clusters play a role and to propose the proper quantum chemistry method for each class of problems.