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Koopmans' theorem
Sign in to savetheorem in quantum mechanics that in closed-shell Hartree–Fock theory, the first ionization energy of a molecular system equals the negative of the orbital energy of the highest occupied molecular orbital
In the Vinony graph
Vinony's link graph records 19 inbound references to Koopmans' theorem, and connects out to HOMO/LUMO, Hartree–Fock method and electronvolt.
It is catalogued under topics including Computational chemistry, Quantum chemistry and Theoretical chemistry.
Vinony links it to 11 Wikipedia language editions.
Wikidata facts
- Instance of
- theorem
- Named after
- Tjalling Koopmans
Show 1 more fact
- maintained by WikiProject
- WikiProject Mathematics
Sources (1)
via Wikidata · CC0
Connections
HOMO/LUMO
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Hartree–Fock method
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electronvolt
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Fock matrix
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International Standard Book Number
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digital object identifier
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International Standard Serial Number
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OCLC, Inc.
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PubMed
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ionization energy
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bibcode
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arXiv
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Tjalling Koopmans
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electron affinity
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Semantic Scholar
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ground state
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density functional theory
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Handle System
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molecular symmetry
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Slater determinant
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