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Jie Liu

Jie Liu

University of Science & Technology of China - Hefei / China
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 731439
中国科学技术大学
person_outline Jie Liu's MOST POPULAR ARTICLES
1-) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics 113 (2), 184-215, 2015
2-) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package The Journal of chemical physics 155 (8), 2021
3-) Analytical approach for the excited-state Hessian in time-dependent density functional theory: Formalism, implementation, and performance The Journal of chemical physics 135 (18), 2011
4-) Beyond time-dependent density functional theory using only single excitations: Methods for computational studies of excited states in complex systems Accounts of chemical research 49 (5), 931-941, 2016
5-) Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation The Journal of chemical physics 135 (1), 2011