Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function

2010 ◽  
Vol 12 (47) ◽  
pp. 15523 ◽  
Author(s):  
David Casanova ◽  
Pere Alemany
Keyword(s):  
Wave Function ◽  
Electronic Structure ◽  
Molecular Orbitals ◽  
Structure Of Molecules

Recap: Molecular Orbitals and Common Misconceptions

2020 ◽  
pp. 217-230
Author(s):  
Jochen Autschbach
Keyword(s):  
Electronic Structure ◽  
Linear Combination ◽  
Atomic Orbital ◽  
Molecular Orbitals ◽  
Basis Functions ◽  
Structure Of Molecules ◽  
Common Misconceptions

This chapter recapitulates the series of approximations that lead to the commonly used description of the electronic structure of molecules in terms of molecular orbitals (MOs), which in turn are usually expressed as linear combination of atomic orbital-like basis functions. Next, a number of common misconceptions about orbitals are discussed, such that the reader is aware of not only what electron orbitals are but also what they are not.

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