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08 Chapter 1 PDF

82 Pages·2019·English
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by ['Dreamm All']| 2019| 82 pages| English

About 08 Chapter 1

This chapter discusses ab initio methods in computational quantum chemistry. It begins with an introduction to computational chemistry and its importance. It then describes the two broad areas of computational chemistry - molecular mechanics/molecular dynamics methods and electronic structure methods. The chapter focuses on ab initio methods, including the Hartree-Fock method and post-Hartree-Fock methods like configuration interaction, perturbation theory, coupled cluster, and density functional theory. It also discusses basis sets and model chemistry.

Detailed Information

Author:['Dreamm All']
Publication Year:2019
Pages:82
Language:English
Format:PDF
Price:FREE
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