Energy decomposition in the topological theory of atoms in molecules and in the linear combination of atomic orbitals formalism: a note

2001 ◽  
Vol 105 (4-5) ◽  
pp. 360-364 ◽  
Author(s):  
I. Mayer ◽  
A. Hamza
Keyword(s):  
Linear Combination ◽  
Atoms In Molecules ◽  
Energy Decomposition ◽  
Topological Theory ◽  
Atomic Orbitals

Localized atomic orbitals for atoms in molecules. II. Diatomic molecules

1980 ◽  
Vol 73 (4) ◽  
pp. 1789-1804 ◽  
Author(s):  
Keith H. Aufderheide ◽  
Alice Chung‐Phillips
Keyword(s):  
Diatomic Molecules ◽  
Atoms In Molecules ◽  
Atomic Orbitals

scholarly journals A pencil-and-paper method for elucidating halide double perovskite band structures

2019 ◽  
Vol 10 (48) ◽  
pp. 11041-11053 ◽  
Author(s):  
Adam H. Slavney ◽  
Bridget A. Connor ◽  
Linn Leppert ◽  
Hemamala I. Karunadasa
Keyword(s):  
Linear Combination ◽  
Electronic Structures ◽  
Double Perovskite ◽  
Band Structures ◽  
Atomic Orbitals ◽  
Pencil And Paper ◽  
Paper Method

Explaining most known double perovskite electronic structures and predicting new ones using Linear Combination of Atomic Orbitals analysis.

Sign in / Sign up

Export Citation Format

Share Document