1. Analytical first derivatives of the energy for small CI expansions

   • S. Patchkovskii
   • W. Thiel

   Letter Pages: 1 - 4

2. Ab initio self-consistent reaction field calculations on amino acids: asparagine zwitterions in polar medium and gas phase

   • J. T. López Navarrete
   • J. Casado
   • F. J. Ramírez

   Regular Paper Pages: 5 - 15

3. Kohn-Sham potentials corresponding to Slater and Gaussian basis set densities

   • P. R. T. Schipper
   • O. V. Gritsenko
   • E. J. Baerends

   Article Pages: 16 - 24

4. Contracted polarization functions for the atoms helium through neon

   • Takeshi Noro
   • Masahiro Sekiya
   • Toshikatsu Koga

   Article Pages: 25 - 32

5. Calculations of rate constants for reactions of first and second row cations

   • A. I. González
   • D. C. Clary
   • M. Yáñez

   Article Pages: 33 - 41

6. Reliability of MEP and MEP-derived properties computed from DFT methods for molecules containing P, S and CL

   • Robert Soliva
   • Francisco J. Luque
   • Modesto Orozco

   Article Pages: 42 - 49

7. Application of the iterative difference-dedicated configuration interaction method to the determination of excitation energies in some benchmark systems: Be, CH+, BH and CH2

   • V. M. García
   • M. Reguero
   • R. Caballol

   Article Pages: 50 - 56

8. Multireference perturbation CI I. Extrapolation procedures with CAS or selected zero-order spaces

   • Celestino Angeli
   • Renzo Cimiraglia
   • Alessandro Toniolo

   Article Pages: 57 - 63