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The Embedding Method for Electronic Structure
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The embedding method is a way of solving the Schrödinger equation for electrons in a region of space joined to a substrate. It is a flexible method, as well as
The Fragment Molecular Orbital Method
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Authors: Dmitri Fedorov
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Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecu
The Embedding Method for Electronic Structure
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Embedding Method Electronic Structure
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Interacting Electrons
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Type: BOOK - Published: 2016-06-30 - Publisher: Cambridge University Press

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Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becom