Symbolic calculation in chemistry: Selected examples

This publication has 264 references indexed in Scilit:

• RATH: A Maple package for finding travelling solitary wave solutions to nonlinear evolution equations
  Computer Physics Communications, 2002
• Irregular input data in convergence acceleration and summation processes: General considerations and some special Gaussian hypergeometric series as model problems
  Computer Physics Communications, 2001
• Generation of functional derivatives in Kohn-Sham density-functional theory
  Computer Physics Communications, 1997
• Numerical and symbolic calculation of the multipole matrix elements in the axial and triaxial harmonic oscillator basis
  Computer Physics Communications, 1996
• An automated tanh-function method for finding solitary wave solutions to non-linear evolution equations
  Computer Physics Communications, 1996
• Dielectric properties of proteins from simulations: tools and techniques
  Computer Physics Communications, 1995
• An application of the computer algebra system Maple for calculations on atomic and molecular systems
  Computer Physics Communications, 1994
• On the theory of reflectivity and transmissivity of a lossless nonlinear dielectric slab
  Zeitschrift für Physik B Condensed Matter, 1993
• Perturbation energy expansion using hypervirial theorem and symbolic computation for the N-dimensional hydrogen atom in an external spherically symmetric field
  Computer Physics Communications, 1988
• Subroutines for the evaluation of exchange integrals in the impact parameter formulation of atomic charge transfer collisions
  Computer Physics Communications, 1980