Tetrahedral shape of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mi>Zr</mml:mi><mml:mprescripts/><mml:none/><mml:mn>110</mml:mn></mml:mmultiscripts></mml:math> from covariant density functional theory in 3D lattice space
F. F. Xu, B. Li, Z. X. Ren, P. W. Zhao
Abstract
Covariant density functional theory is solved in 3D lattice space by implementing the preconditioned conjugate gradient method with a filtering function. It considerably improves the computational efficiency compared to the previous inverse Hamiltonian method (IHM). This new method is then applied to explore the tetrahedral shape of $^{110}\mathrm{Zr}$ in the full deformation space. Although the ground-state energy and deformation are consistent with the previous study, the pear-shaped isomeric state is significantly lowered in energy. The energy difference between the two states is only 0.07 MeV, indicating an interesting possible shape coexistence in $^{110}\mathrm{Zr}$. This effect is analyzed with the microscopic evolution of the single-particle levels near the Fermi surface driven by the deformation.