Titlebook: Second Quantized Approach to Quantum Chemistry; An Elementary Introd Péter R. Surján Textbook 1989 Springer-Verlag Berlin Heidelberg 1989 S

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978-3-642-74757-1Springer-Verlag Berlin Heidelberg 1989

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Introduction,In the many-electron problem, one is focused on solving the Schr?dinger equation which for stationary states Ψ reads:.where ? is the many-electron Hamiltonian which in the non-relativistic case, under the Born-Oppenheimer approximation, for N electrons and M atoms reads:

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Density Matrices,Let us now proceed further in the formalism, studying a more general and automatic way of calculating expectation values. The appropriate tools are offered by density matrices.

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