A simple geometrical path towards hybrid orbitals

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

It is shown that the standard sp(n) hybrid orbitals are orthogonal orbitals that minimize the total quadratic spread. This is done in a concise way that may improve the understanding of hybrid orbitals. The fact that maximally localized Wannier functions of crystalline materials may resemble hybrid orbitals is discussed.