swMATH ID: 24379
Software Authors: Liu, Wenjian; Wang, Fan; Li, Lemin
Description: Relativistic density functional theory: the BDF program package. The BDF (Beijing Density Functional) program package is such a code that can perform nonrelativistic, one-, two-, and four-component relativistic density functional calculations on medium-sized molecular systems with various functionals in most compact and yet sufficient basis set expansions. The mergence of different approaches in a single code facilitates direct and systematic comparisons between different Hamiltonians, since they share all the same numerical and technical issues. In the present review, the salient features and perspectives of the code will be discussed.
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