The Chemical Connection

Xueliang Li, Yongtang Shi and Ivan Gutman
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Xueliang Li: Nankai University, Center for Combinatorics
Yongtang Shi: Nankai University, Center for Combinatorics
Ivan Gutman: University of Kragujevac, Faculty of Science

Chapter Chapter 2 in Graph Energy, 2012, pp 11-17 from Springer

Abstract: Abstract Research on what we call the energy of a graph can be traced back to the 1940s or even to the 1930s. In the 1930s, the German scholar Erich Hückel put forward a method for finding approximate solutions of the Schrödinger equation of a class of organic molecules, the so-called conjugated hydrocarbons. Details of this approach, often referred to as the “Hückel molecular orbital (HMO) theory” can be found in appropriate textbooks [76, 101].

Keywords: Molecular Graph; Hamiltonian Matrix; German Scholar; Graph Spectral Theory; Orthogonal Basis Function (search for similar items in EconPapers)
Date: 2012
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DOI: 10.1007/978-1-4614-4220-2_2

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