期刊
EUROPEAN PHYSICAL JOURNAL A
卷 46, 期 1, 页码 85-90出版社
SPRINGER
DOI: 10.1140/epja/i2010-11018-9
关键词
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资金
- U.S. Department of Energy [DE-FC02-09ER41583]
- University of Tennessee [DE-FG02-96ER40963]
- DOE [DE-FG52-09NA29461]
- NEUP [DE-AC07-05ID14517]
- Polish Ministry of Science and Higher Education [N202 231137]
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 multi-dimensional energy surfaces in the space of collective coordinates that are needed to, e.g., determine fission pathways and saddle points; it improves the 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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