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Implementation of atomic basis set composed of 1s Gaussian and 1s Slater-type orbitals to carry out quantum mechanics molecular calculations.

Juan C. CescoClaudia C. DennerGraciela O. GiubergiaAna E. RossoJorge E. PérezF. S. OrtizOscar E. TaurianRubén H. Contreras
Published in: J. Comput. Chem. (1999)
Keyphrases
  • quantum mechanics
  • decision making
  • particle swarm optimisation