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1. chemistry.stackexchange.com › questions › 182571quantum chemistry - Integrating out spin in 2-electron energy...

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   6. Mai 2024 · I am currently reading Modern Quantum Chemistry by Szabo and I am a little confused by a concept. The two-electron ground state energy is: E0 = < ψ | H | ψ > = ∑ a [a | h | a] + 1 2∑ a ∑ b [aa | bb] − [ab | ba] where the first term is the one-electron energy and the second two terms consider the excited state with interaction between electrons.

2. www.cosmos-indirekt.de › Physik-Schule › Dirac-NotationDirac-Notation – Physik-Schule

   www.cosmos-indirekt.de › Physik-Schule › Dirac-Notation

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   9. Mai 2024 · Attila Szabo, Neil S. Ostlund: Modern quantum chemistry: introduction to advanced electronic structure theory. Dover Publications, Mineola, NY 1996, ISBN 978-0-486-69186-2. Hinweis: Das Buch von Szabo-Ostlund bietet im 1. Kapitel eine kompakte, zusammenfassende Einführung in die Dirac-Notation. Einzelnachweise

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     Modern Quantum Chemistry (Szabo) 2.3. Operators and Matrix Elements

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     Modern Quantum Chemistry (Szabo) 1.1.6-1.3

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     Modern Quantum Chemistry (Szabo) 2.2 Orbitals, Slater Determinants, and Basis Functions

     10. Okt. 2022

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4. www.nature.com › articles › s41586/024/07422-zWavefunction matching for solving quantum many-body problems

   www.nature.com › articles › s41586/024/07422-z

   15. Mai 2024 · Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions 1, 2, 3 to quantum...

5. www.science.org › doi › 10The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon

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   9. Mai 2024 · A. Szabo, N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (McGraw-Hill Publishing Company, 1989).

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7. pubs.aip.org › aip › jcpFrom Liouville to Landauer: Electron transport and the bath...

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   9. Mai 2024 · A generalized quantum master equation approach is introduced to describe electron transfer in molecular junctions that spans both the off-resonant (tunneling) and resonant (hopping) transport regimes. The model builds on prior insights from scattering theory but is not limited to a certain parameter range with regard to the strength ...

8. www.cosmos-indirekt.de › Physik-Schule › Slater-DeterminanteSlater-Determinante – Physik-Schule

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   2. Mai 2024 · Attila Szabo, Neil S. Ostlund: Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Courier Corporation, 1996, ISBN 978-0-486-69186-2, S. 50 ff. H. Friedrich: Theoretische Atomphysik. 2. Auflage. Springer Verlag, Berlin–Heidelberg 1994, ISBN 978-3-540-58267-0.

9. link.springer.com › article › 10Clashing perspectives: Kantian epistemology and quantum chemistry...

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   14. Mai 2024 · Szabo, A., Ostlund, N.S.: Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover (2012) Torretti, R.: HASOK CHANG. 2012. Is Water H2O? Evidence, Realism and Pluralism. Dordrecht: Springer. THEORIA. Revista de Teoría, Historia y Fundamentos de la Ciencia, 28(2), 331–334. (2013)