1. Reduced-size representations of high-quality atomic densities. The hybrid Gaussian–exponential case

   • E. Francisco
   • L. Pueyo
   • A. Martín Pendás

   OriginalPaper 06 March 2004 Pages: 113 - 123

2. The expansion of hydrogen states in Gaussian orbitals

   • Vebjørn Bakken
   • Trygve Helgaker

   OriginalPaper 06 May 2004 Pages: 124 - 134

3. Can STO basis sets do a good job in evaluating molecular electromagnetic properties? II: Second hyperpolarizability of H₂O, CH₄ and NH₃ according to the TDHF theory

   • U. T. Lamanna
   • C. Guidotti
   • S. Bruzzone

   OriginalPaper 21 June 2004 Pages: 135 - 140

4. Method for evaluation of density functional integrals in molecular calculations

   • Qiuping Bian
   • James D. Talman

   OriginalPaper 08 June 2004 Pages: 141 - 144

5. The influence of simulation conditions in molecular dynamics investigations of model β-sheet peptides

   • Luca Monticelli
   • Giorgio Colombo

   OriginalPaper 29 April 2004 Pages: 145 - 157

6. A scheme for the economical use of numerical basis sets in calculations with SIESTA

   • R. Q. Zhang
   • Q. Z. Zhang
   • M. W. Zhao

   OriginalPaper 16 June 2004 Pages: 158 - 162

7. Development and optimisation of a novel genetic algorithm for studying model protein folding

   • Graham A. Cox
   • Thomas V. Mortimer-Jones
   • Roy L. Johnston

   OriginalPaper 29 June 2004 Pages: 163 - 178