Augmented Lagrangian Method for Constrained Nuclear Density Functional Theory

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.

6 pages, 3 figures; to appear in Eur. Phys. J. A

References in corpus (4)

• Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): a new version of the program
• Microscopic description of complex nuclear decay: multimodal fission
• Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VI) HFODD (v2.38j): a new version of the program
• Broyden's Method in Nuclear Structure Calculations

Cited by in corpus (45)

• Relativistic Nuclear Energy Density Functionals: Mean-Field and Beyond
• DIRHB -- a relativistic self-consistent mean-field framework for atomic nuclei
• The TDHF Code Sky3D
• Fission barriers in covariant density functional theory: extrapolation to superheavy nuclei
• Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): a new version of the program
• Shrunk halo and quenched shell gap at $N=16$ in ${}^{22}$C: Inversion of $sd$ states and deformation effects
• Deformed relativistic Hartree-Bogoliubov theory in continuum with point coupling functional: examples of even-even Nd isotopes
• Surface Symmetry Energy of Nuclear Energy Density Functionals
• Fission dynamics within time-dependent Hartree-Fock: deformation-induced fission
• Fission modes of mercury isotopes
• Title: Quadrupole collective inertia in nuclear fission: cranking approximation
• Numerical search of discontinuities in self-consistent potential energy surfaces
• Excitation energy dependence of fission in the mercury region
• Angular-momentum projection in coupled-cluster theory: structure of ${}^{34}$Mg
• Study of ground state properties of carbon isotopes with deformed relativistic Hartree-Bogoliubov theory in continuum
• Solution of the Skyrme HF+BCS equation on a 3D mesh. II. A new version of the Ev8 code
• Third minima in thorium and uranium isotopes in a self-consistent theory
• Computational Nuclear Quantum Many-Body Problem: The UNEDF Project
• Fission dynamics within time-dependent Hartree-Fock: boost-induced fission
• Quadrupole and octupole collectivity and cluster structures in neon isotopes
• A region of high-spin toroidal isomers
• Theoretical study of triaxial shapes of neutron-rich Mo and Ru nuclei
• Three-dimensional mesh calculations for covariant density functional theory
• Toroidal high-spin isomers in the nucleus ${}^{304}120$
• Bubble nuclei with shape coexistence in even-even isotopes of Hf to Hg
• Coordinate-Space Solver for Superfluid Many-Fermion Systems with Shifted Conjugate Orthogonal Conjugate Gradient Method
• Energy-density-functional calculations including the proton-neutron mixing
• Tetrahedral symmetry in Zr nuclei: Calculations of low-energy excitations with Gogny interaction
• Multiscale physics of atomic nuclei from first principles
• Ab initio computations of strongly deformed nuclei around ${}^{80}$Zr
• The nuclear energy density functional formalism
• Time-dependent generator coordinate method study of fission: mass parameters
• Bootstrap Embedding on a Quantum Computer
• Constraints on the neutron drip-line with the newly observed 39Na
• Kerman-Onishi conditions in self-consistent tilted-axis-cranking mean-field calculations
• Ab initio computations from ${}^{78}$Ni towards ${}^{70}$Ca along neutron number $N=50$
• Toroidal high-spin isomers in light nuclei with N not equal to Z
• Infinitesimal cranking for triaxial angular-momentum-projected configuration-mixing calculation and its application to the gamma vibrational band
• Simultaneous analysis of matter radii, transition probabilities, and excitation energies of Mg isotopes by angular-momentum-projected configuration-mixing calculations
• Finite-temperature mean-field approximations for shell model Hamiltonians: the code HF-SHELL
• A systematic study of the ground state properties of W, Os and Pt isotopes using HFB theory
• Reflection-asymmetric nuclear deformations within the Density Functional Theory
• Revisiting the variational two-particle reduced density matrix for nuclear systems
• The LISE package: solvers for static and time-dependent superfluid local density approximation equations in three dimensions
• Fluctuations of collective coordinates and convexity theorems for energy surfaces