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About Advanced Computational Chemistry: Pekka Manninen 2009
This document contains lecture notes for an advanced computational chemistry course. It covers many topics related to computational quantum chemistry including: - Many-electron wave functions and the molecular Schrodinger equation. - Approximation methods like molecular orbitals, Slater determinants, and configuration interaction. - Basis sets and evaluating molecular integrals over Gaussian basis functions. - Second quantization, Hartree-Fock theory, and the Roothaan-Hall equations. - Coupled cluster theory and methods to describe dynamical electron correlation.
Detailed Information
| Author: | ['Ayushi Kapoor'] |
|---|---|
| Publication Year: | 2021 |
| Pages: | 103 |
| Language: | English |
| Format: | |
| Price: | FREE |
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