Quantum Chemistry
440 papers for year 2021
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 37-48 of 440
An optical tweezer array of ground-state polar molecules
Jessie T. Zhang, Lewis R. B. Picard, William B. Cairncross, Kenneth Wang, Yichao Yu, Fang Fang, Kang-Kuen Ni
Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction
Keita Omiya, Yuya O. Nakagawa, Sho Koh, Wataru Mizukami, Qi Gao, Takao Kobayashi
Analytical nonadiabatic couplings and gradients within the state-averaged orbital-optimized variational quantum eigensolver
Saad Yalouz, Emiel Koridon, Bruno Senjean, Benjamin Lasorne, Francesco Buda, Lucas Visscher
Analytical solutions of the Schrodinger equation for the one-dimensional hydrogen molecular ion
Stavros Theodorakis
Analyzing cases of significant nondynamic correlation with DFT using the Atomic Populations of Effectively Localized Electrons
Conrad Lewis, Emil Proynov, Jianguo Yu, Jing Kong
Anion-exchange Experiment of Zr, Hf, and Th in HNO<sub>3</sub> and Quantum Chemical Study on the Nitrate Complexes toward Chemical Research on Element 104, Rf
Eisuke Watanabe, Yoshitaka Kasamatsu, Takuya Yokokita, Sho Hayami, Katsuma Tonai, Hidemi Ninomiya, Narumi Kondo, Yudai Shigekawa, Hiromitsu Haba, Yasutaka Kitagawa, Masayoshi Nakano, Atsushi Shinohara
Anomalous Lifetimes of Ultracold Complexes Decaying into a Single Channel: What's Taking So Long in There?
James F. E. Croft, John L. Bohn, Goulven Quéméner
Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species
S. P. M. Curley, B. M. Huddart, D. Kamenskyi, M. J. Coak, R. C. Williams, S. Ghannadzadeh, A. Schneider, S. Okubo, T. Sakurai, H. Ohta, J. P. Tidey, D. Graf, S. J. Clark, S. J. Blundell, F. L. Pratt, M. T. F. Telling, T. Lancaster, J. L. Manson, P. A. Goddard
Antiferromagnetic spin pumping via hyperfine interaction
Adam B. Cahaya
Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost
Aleksandra Leszczyk, Mihály Máté, Örs Legeza, Katharina Boguslawski
Assessing the Nature of Chiral-Induced Spin Selectivity by Magnetic Resonance.
Chiesa A, Chizzini M, Garlatti E, Salvadori E, Tacchino F, Santini P, Tavernelli I, Bittl R, Chiesa M, Sessoli R, Carretta S.
Assessing the Needs of the Quantum Industry
Ciaran Hughes, Doug Finke, Dan-Adrian German, Celia Merzbacher, Patrick M. Vora, H. J. Lewandowski