Improving the performances of the collocation method for numerically solving linear differential equations of the wavefunctions in large atomic systems

  • Authors:

  • Sever Spanulescu;Mircea Moldovan

  • Affiliations:

  • Department of Physics, Hyperion University of Bucharest, Bucharest, Romania;Department of Physics, UMF Targu Mures, Targu Mures, Romania

  • Venue:
  • MATH'08 Proceedings of the 13th WSEAS international conference on Applied mathematics
  • Year:
  • 2008

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Abstract

The influence of analytical treatment of terms in collocation method applied to the boundary condition equations of Hartree-Fock type is presented. The explicit form of matrix elements for monomial and Chebyshev trial functions is given and some methods for increasing the speed in these time critical problems are proposed. The numerical tests indicate the possibility of decreasing the amount of computing effort up to 10 times with the proposed technique while maintaining the precision.