122 citations · 306 across the 6 of their papers we have counts for
3 papers · 2 filters
Post-Hartree-Fock method in Quantum Chemistry for Quantum Computer
Yutaka Shikano, Hiroshi C. Watanabe, Ken M. Nakanishi +1
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electroni…
Variational Quantum Simulation for Periodic Materials
Nobuyuki Yoshioka, Takeshi Sato, Yuya O. Nakagawa +2
We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the u…
Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters
Qi Gao, Gavin O. Jones, Mario Motta +7
A quantum chemistry study of the first singlet (S1) and triplet (T1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescen…