A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

By Fenglai Liu, Zhengting Gan, Y. Shao, Chao‐Ping Hsu, Andreas Dreuw, M. Head‐Gordon, Benjamin T. Miller, Bernard R. Brooks, Jianguo. Yu, T. Furlani and 1 more. 2010

1,103 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/1414387f5c2bfbf34eaff40719b0e958931532e4