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Application of quantum mechanics and electronic-structure approximations to chemical bonding, spectra, dynamics, and molecular properties.
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This is an authored directed relation from the source endpoint to the target endpoint.
Molecular-orbital theory is one central approximation framework within quantum chemistry, not an observable decomposition of an exact many-electron state.
The source supplies a substantive formal ingredient, dynamical sector, law, field content, or mechanism of the target theoretical framework.
wp-physics-chemical-bondopenstax-chemistry-2eiupac-gold-bookThis is an authored directed relation from the source endpoint to the target endpoint.
Quantum chemistry specializes quantum mechanics to electronic structure, molecular geometry, spectra, and reactivity using explicit Hamiltonians and controlled or empirical approximations.
A more specific theory, model, entity class, or regime is obtained by restricting or extending the scope of a broader framework.
wp-physics-quantum_mechanicstong-quantumwp-chem-quantum-chemistryopenstax-chemistry-2eEach relation below starts at this concept.
This is an authored directed relation from the source endpoint to the target endpoint.
Most molecular electronic-structure work begins from an adiabatic separation whose accuracy depends on mass ratios and electronic-state gaps.
The target is a model, idealization, restricted ansatz, approximation scheme, phenomenological fit, or historical representation used for the source system or theory. It need not have a universal small error parameter and is not thereby a controlled limit or effective theory. The edge label and detail must identify the precise status.
wp-chem-quantum-chemistryiupac-green-booknist-chemistry-webbookThis is an authored directed relation from the source endpoint to the target endpoint.
Ligand-field theory is a reduced electronic-structure framework for coordination complexes that incorporates symmetry and covalent mixing while omitting much of a full many-electron calculation.
A more specific theory, model, entity class, or regime is obtained by restricting or extending the scope of a broader framework.
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Quantum chemistry connects electronic states to equilibrium structures, response properties, spectra, and reaction paths through explicit approximations.
A theory, law, or interaction describes the behavior of the target within a stated regime. The edge detail must state important limits or qualifications.
wp-chem-quantum-chemistryiupac-green-booknist-chemistry-webbook