633 citations · 2.3k across the 23 of their papers we have counts for
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Non-existence of Taylor expansion in time due to cusps
Zeng-hui Yang, Kieron Burke
In the usual treatment of electronic structure, all matter has cusps in the electronic density at nuclei. Cusps can produce non-analytic behavior in time, even in response to pertu…
A brief compendium of time-dependent density-functional theory
Carsten A. Ullrich, Zeng-hui Yang
Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation ene…
Application of object-oriented programming in a time-dependent density-functional theory calculation of exciton binding energies
Zeng-hui Yang, Carsten A. Ullrich
This paper discusses the benefits of object-oriented programming to scientific computing, using our recent calculations of exciton binding energies with time-dependent density-func…
Direct calculation of exciton binding energies with time-dependent density-functional theory
Zeng-hui Yang, Carsten A. Ullrich
Excitons are electron-hole pairs appearing below the band gap in insulators and semiconductors. They are vital to photovoltaics, but are hard to obtain with time-dependent density-…