Journal of Mathematical Chemistry

, Volume 23, Issue 3–4, pp 399–404 | Cite as

Analytic gradients in the improved BCS method

  • Mario Piris
Article

Abstract

The first derivatives of the total energy with respect to nuclear displacement have been calculated in the framework of the Improved Bardeen–Cooper–Schrieffer (IBCS) method. It permits the quick determination of the stationary points.

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Copyright information

© Kluwer Academic Publishers 1998

Authors and Affiliations

  • Mario Piris
    • 1
  1. 1.Instituto Superior de Ciencias y Tecnología NuclearesLa HabanaCuba

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