Encyclopedia

linear combination of atomic orbitals

Also found in: Wikipedia.
(redirected from Linear combination of atomic orbitals molecular orbital method)

linear combination of atomic orbitals

[¦lin·ē·ər ‚käm·bə¦nā·shən əv ə¦täm·ik ′ȯrb·əd·əlz]
(physics)
A method of constructing approximate wave functions for molecular orbitals or for electrons in solids, by taking sums of atomic orbitals of the component atoms, each centered on an atom in the structure and multiplied by a coefficient, and then varying these coefficients to minimize the energy of the wave function. Abbreviated LCAO.
McGraw-Hill Dictionary of Scientific & Technical Terms, 6E, Copyright © 2003 by The McGraw-Hill Companies, Inc.
Mentioned in
Copyright © 2003-2025 Farlex, Inc Disclaimer
All content on this website, including dictionary, thesaurus, literature, geography, and other reference data is for informational purposes only. This information should not be considered complete, up to date, and is not intended to be used in place of a visit, consultation, or advice of a legal, medical, or any other professional.