Introduction

SAPT: A Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies

Bogumi  Jeziorski and Robert Moszynski Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warsaw, Poland Artur Ratkiewicz and Stanis  aw Rybak Institute of Chemistry, University of Warsaw, al. Pi  sudskiego 11/4, 15-443 Bia  ystok, Poland Krzysztof Szalewicz and Hayes L. Williams Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716  

• Introduction
• Many-body expansion of the interaction energy
• Second-quantization formalism for nonsymmetric operators
• Explicitly connected polarization expansion
• Explicitly connected expansion of exchange corrections
• Electrostatic energy
• Hartree-Fock electrostatic energy 
• Second-order intramonomer correlation corrections
• Third-order intramonomer correlation corrections
• Fourth-order intramonomer correlation corrections
• First-order exchange energy
• Hartree-Fock exchange energy 
• First-order intramonomer correlation correction 
• Second-order intramonomer correlation correction 
• Induction energy
• Exchange-induction energy
• Dispersion energy
• Hartree-Fock dispersion energy 
• First-order intramonomer correlation correction 
• Second-order intramonomer correlation correction 
• Bilinear term 
• Quadratic term 
• Exchange-dispersion energy
• Applications
• Discussion and conclusions
• References
• Captions to Table 2
• About this document ...

Wed Mar 18 14:43:39 EST 1998