Abstract
We perform deformation constraint symmetry-unrestricted three-dimensional time-dependent density functional theory (TDDFT) calculations for the isoscalar monopole (ISM) mode in
100
Mo. Monopole moments are obtained as a function of time using time propagating states based on different deformations. A Fourier transform is then performed on the obtained response functions. The resulting ISM strength functions are compared with experimental data. For the static potential-energy-surface (PES) calculations, the results using the SkM* and UNEDF1 energy-density functionals (EDFs) show spherical ground states and considerable softness in the triaxial deformation. The PES obtained with the SLy4 EDF shows static triaxial deformation. The TDDFT results based on different deformations show that a quadrupole deformation (characterized by
) value of 0.25–0.30 gives a two-peak structure of the strength functions. Increasing triaxial deformation (characterized by
γ
) from 0
to 30
results in the occurrence of an additional peak between the two, making the general shape of the strength functions closer to that of the data. Our microscopic TDDFT analyses suggest that
100
Mo is triaxially deformed in the ground state. The calculated isoscalar
and
strength functions show peaks at lower energies. The coupling of these two modes with the ISM mode is the reason for the three-peak/plateau structure in the strengths of
100
Mo.