Quantum Chemistry
276 papers for year 2019
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 97-108 of 276
Generalized spin mapping for quantum-classical dynamics
Johan E. Runeson, Jeremy O. Richardson
Generalized unitary coupled cluster excitations for multireference molecular states optimized by the Variational Quantum Eigensolver
Gabriel Greene-Diniz, David Muñoz Ramo
Generation of macroscopic entangled cat states in a molecular cavity-QED system
Jian Huang, Yu-Hong Liu, Jin-Feng Huang, Jie-Qiao Liao
Giant momentum-dependent spin splitting in centrosymmetric low Z antiferromagnets
Lin-Ding Yuan, Zhi Wang, Jun-Wei Luo, Emmanuel I. Rashba, Alex Zunger
Giant nonlinear optical effects induced by nitrogen-vacancy centers in diamond crystals
Mari Motojima, Takara Suzuki, Hidemi Shigekawa, Yuta Kainuma, Toshu An, Muneaki Hase
Ground state excitation of an atom strongly coupled to a free quantum field
Jen-Tsung Hsiang, Bei-Lok Hu
Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases
Mario Motta, Claudio Genovese, Fengjie Ma, Zhi-Hao Cui, Randy Sawaya, Garnet Kin-Lic Chan, Natalia Chepiga, Phillip Helms, Carlos Jimenez-Hoyos, Andrew J. Millis, Ushnish Ray, Enrico Ronca, Hao Shi, Sandro Sorella, Edwin M. Stoudenmire, Steven R. White, Shiwei Zhang
Halogen and Hydrogen Bonding in Halogenabenzene/NH<sub>3</sub> Complexes Compared Using Next-Generation QTAIM
Shuman Li, Tianlv Xu, Tanja van Mourik, Herbert Früchtl, Steven R. Kirk, Samantha Jenkins
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators
Guillaume Acke, Stijn De Baerdemacker, Ángel Martín Pendás, Patrick Bultinck
Highly Efficient and Stable White Light‐Emitting Diodes Using Perovskite Quantum Dot Paper
Chieh‐Yu Kang, Chun‐Ho Lin, Chih‐Hao Lin, Ting‐You Li, Sung‐Wen Huang Chen, Chun‐Lin Tsai, Chin‐Wei Sher, Ting‐Zhu Wu, Po‐Tsung Lee, Xuezhu Xu, Maolin Zhang, Chih‐Hsiang Ho, Jr‐Hau He, Hao‐Chung Kuo
Highly efficient photocatalytic performance of Cu2O@TiO2 nanocomposite: influence of various inorganic oxidants and inorganic anions
Wagih A. Sadik, Abdel-Ghaffar M. El-Demerdash, Adel W. Nashed, Amr A. Mostafa, Hesham A. Hamad
How does the NMR thermometer work? Application of combined quantum molecular dynamics and GIPAW calculations into the study of lead nitrate.
Szeleszczuk Ł, Pisklak DM, Zielińska-Pisklak M