Chemistry BooksComputational Chemistry Books

Introduction to Computational Chemistry Theory

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Introduction to Computational Chemistry Theory

Introduction to Computational Chemistry Theory

Computational Chemistry is the modeling of chemical phenomenon using computers rather than chemicals. Topics covered includes: Ab initio quantum chemistry, Theoretical model, The Hamiltonian, The hydrogen atom, Hartree-Fock theory, The Born-Oppenheimer approximation, The Hartree wavefunction, The variational principle, Electron spin, Gaussian basis functions, Electronic energy decomposition.

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s98 Pages

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