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pallab
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where can I find the thoroughly discussed Hartree and Hartree-Fock method for many electrons system?
The Hartree-Fock theory is a mathematical model used in quantum chemistry to describe the behavior of a system of interacting electrons. It is based on the assumption that the total wavefunction of the system can be approximated as a single Slater determinant, which is a mathematical representation of the electronic structure.
The Hartree-Fock theory is used to calculate the electronic energy and properties of molecules, such as bond lengths and energies. It is also used to predict the reactivity and stability of chemical compounds, making it an important tool in the field of computational chemistry.
A good book for learning about Hartree-Fock theory should provide a thorough explanation of the theory and its applications, along with practical examples and exercises for better understanding. It should also include discussions on the underlying mathematical concepts and the limitations of the theory.
Yes, there are several recommended books for beginners in Hartree-Fock theory, such as "Quantum Chemistry" by Ira N. Levine and "Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory" by Attila Szabo and Neil S. Ostlund. These books provide a comprehensive introduction to the theory and are suitable for students with a basic understanding of quantum mechanics.
No, Hartree-Fock theory is limited to molecules with a finite number of electrons and does not account for the effects of electron correlation. Therefore, it is not suitable for systems with strong electron-electron interactions, such as transition metal complexes. However, it can be extended to include these effects through more advanced theories, such as density functional theory.