Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient

Affiliations

• ¹ Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, USA.
• ² State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
• ³ Microfabrication Research and Education Center and School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019, USA.
• ⁴ Department of Chemistry, Stanford University, Stanford, California 94305, USA.
• ⁵ MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, China.