Details

Autor(en) / Beteiligte

• Fulde, Peter

Titel

Introduction

Ist Teil von

• Electron Correlations in Molecules and Solids, p.1-4

Ort / Verlag

Berlin, Heidelberg: Springer Berlin Heidelberg

Link zum Volltext

Beschreibungen/Notizen

• This book aims at bridging the gap between two active fields of research, i.e., quantum chemistry and solid-state theory. Soon after the development of quantum mechanics by Heisenberg [1.1], Schrödinger [1.2], Born and Jordan [1.3], Dirac [1.4], and others, the paper by Heitler and London [1.5] on the ground state of the H2 molecule opened the way to a theoretical understanding of chemical bonding. Their work marks the beginning of quantum chemistry. The Heitler-London ansatz for the ground-state wavefunction of H2 treats the two electrons as being strongly correlated, i.e., by excluding ionic configurations the two electrons stay completely out of each other’s way. The ground state is a singlet and has the form (1.0.1)\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document} $$\psi_{\rm HL}^{\rm S}({\bf r}_1, {\bf r}_2) = {1\over 2}\lbrack \phi_1({\bf r}_1)\phi_2({\bf r}_2)+\phi_2({\bf r}_1)\phi_1({\bf r}_2)\rbrack(\alpha_1\beta_2-\beta_1\alpha_2).$$ \end{document}