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Record Nr. |
UNINA9911002548303321 |
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Autore |
Zamastil Jaroslav |
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Titolo |
An Algebraic Approach to the Many-Electron Problem / / by Jaroslav Zamastil, Tereza Uhlířová |
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Pubbl/distr/stampa |
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Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
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ISBN |
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Edizione |
[1st ed. 2025.] |
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Descrizione fisica |
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1 online resource (VIII, 71 p.) |
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Collana |
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SpringerBriefs in Physics, , 2191-5431 |
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Disciplina |
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Soggetti |
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Quantum theory |
Quantum electrodynamics |
Mathematical physics |
Materials science - Data processing |
Electronic structure |
Quantum chemistry - Computer programs |
Solid state physics |
Quantum Physics |
Quantum Electrodynamics, Relativistic and Many-body Calculations |
Mathematical Methods in Physics |
Electronic Structure Calculations |
Electronic Devices |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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Chapter 1: Quantized electron field -- Chapter 2: Hartree-Fock approximation -- Chapter 3: Coupled cluster method -- Chapter 4: Further developments. |
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Sommario/riassunto |
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This book presents an algebraic approach to the coupled cluster method for many-electron systems, pioneered by Josef Paldus. Using field methods along with an algebraic, rather than diagrammatic, approach facilitates a way of deriving the coupled cluster method which is readily understandable at the graduate level. The book begins with the notion of the quantized electron field and shows how the N-electron Hamiltonian can be expressed in its language. This is followed by introduction of the Fermi vacuum and derivation of the Hartree-Fock |
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equations along with conditions for stability of their solutions. Following this groundwork, the book discusses a method of configuration interaction to account for dynamical correlations between electrons, pointing out the size-extensivity problem, and showing how this problem is solved with the coupled cluster approach. This is followed by derivation of the coupled cluster equations in spin-orbital form. Finally, the book explores practical aspects, showing how one may take advantage of permutational and spin symmetries, and how to solve coupled-cluster equations, illustrated by the Hubbard model of benzene, the simplest quasi-realistic model of electron correlation. |
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