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arXiv · 1006.4137

Augmented Lagrangian Method for Constrained Nuclear Density Functional Theory

A. Staszczak·M. Stoitsov·A. Baran·W. Nazarewicz
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Abstract

The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme Hartree-Fock-Bogoliubov (CHFB) variant. The ALM allows precise calculations of multidimensional energy surfaces in the space of collective coordinates that are needed to, e.g., determine fission pathways and saddle points; it improves accuracy of computed derivatives with respect to collective variables that are used to determine collective inertia; and is well adapted to supercomputer applications.

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A. Staszczak, M. Stoitsov, A. Baran, W. Nazarewicz. 2010-06-21. Augmented Lagrangian Method for Constrained Nuclear Density Functional Theory. https://doi.org/10.1140/epja/i2010-11018-9

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