CNDO/2
Sign in to saveComplete Neglect of Differential Overlap (CNDO) is one of the first semi empirical methods in quantum chemistry. It uses the frozen core approximation, in which only the outer valence electrons are explicitly included, and the approximation of zero-differential overlap.
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5 sectionsContents
- Background
- Methodology
- See also
- References
- External links
Complete Neglect of Differential Overlap (CNDO) is one of the first semi empirical methods in quantum chemistry. It uses the frozen core approximation, in which only the outer valence electrons are explicitly included, and the approximation of zero-differential overlap.
CNDO/2 is the main version of CNDO. The method was first introduced by John Pople and collaborators.
Connections
energy
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chemical bond
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spectroscopy
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electron configuration
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quantum chemistry
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wave function
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John Pople
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eigenvectors and eigenvalues
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molecular orbital
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dipole
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binding energy
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molecular geometry
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HOMO/LUMO
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Hartree–Fock method
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Journal of Chemical Physics
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Roothaan equations
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partial charge
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extended Hückel method
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Semi-empirical quantum chemistry method
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