A program for 3D nuclear static and time-dependent density-functional theory with full Skyrme energy density functional: HIT3D

TL;DR

This paper introduces HIT3D, a comprehensive 3D nuclear DFT program that incorporates full Skyrme functionals and augmented Lagrangian constraints, enabling detailed static and dynamic nuclear simulations.

Contribution

The HIT3D code uniquely integrates full Skyrme energy density functionals with symmetry-unrestricted 3D time-dependent DFT, including tensor terms, and features augmented Lagrangian constraints for static calculations.

Findings

HIT3D code accurately reproduces results of existing codes like Sky3D and Ev8.

Successfully performs unconstrained DFT calculations for doubly magic nuclei.

Demonstrates dynamic applications such as harmonic vibrations and nuclear reactions.

Abstract

This work presents a computer program that performs symmetry-unrestricted 3D nuclear time-dependent density function theory (DFT) calculations. The program features the augmented Lagrangian constraint in the static calculation. This allows for the calculation of the potential energy surface. In addition, the code includes the full energy density functionals derived from the Skyrme interaction, meaning that the time-even and time-odd tensor parts are included for the time-dependent calculations. The results of the hit3d code are carefully compared with the Sky3D and Ev8 programs. The testing cases include unconstrained DFT calculations for doubly magic nuclei, the constrained DFT + BCS calculations for medium-heavy nucleus 110Mo, and the dynamic applications for harmonic vibration and nuclear reactions.