436 citations · 2k across the 44 of their papers we have counts for
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Excited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory
Yu Jin, Victor Wen-zhe Yu, Marco Govoni +2
We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for…
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
Jiawei Zhan, Marco Govoni, Giulia Galli
Electronic structure calculations based on Density Functional Theory have successfully predicted numerous ground state properties of a variety of molecules and materials. However,…
Quantum simulations of Fermionic Hamiltonians with efficient encoding and ansatz schemes
Benchen Huang, Nan Sheng, Marco Govoni +1
We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventio…