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Introduction to Computational Chemistry and the working environment
This note explains the following topics: computational chemistry, the working environment, Molecular potential energy, Graphical building of molecular structures.
Author(s): NA
274 Pages
Advanced Computational Chemistry Lecture notes
This note describes the following topics: Many-electron wave functions, Exact and approximate wave functions, Molecular integral evaluation, Second quantization, Hartree–Fock theory, Configuration interaction, Description of dynamical correlation, Performance of the electronic-structure models.
Author(s): Pekka Manninen
NA Pages
