Optical force and torque in near-field excitation of C3H6: A first-principles study using RT-TDDFT
Abstract
Optical trapping is an effective tool for manipulating micrometer-sized particles, although its application to nanometer-sized particles remains difficult. The field of optical trapping has advanced significantly, incorporating more advanced techniques such as plasmonic structures. However, single-molecule trapping remains a challenge. To achieve a deeper understanding of optical forces acting on molecular systems, a first-principles approach to analyze the optical force on molecules interacting with a plasmonic field is crucial. In our study, the optical force and torque induced by the near-field excitation of C3H6 were investigated using real-time time-dependent density functional theory calculations on real-space grids. The near field from the scanning tunneling probe was adopted as the excitation source for the molecule. The optical force was calculated using the polarization charges induced in the molecule based on Lorentz force. While the optical force….
Read the original article on The Journal of Chemical Physics
Article inforamation
Risa Amano, Daisuke Nishizawa, Tetsuya Taketsugu, Takeshi Iwasa,Optical force and torque in near-field excitation of C3H6: A first-principles study using RT-TDDFT, The Journal of Chemical Physics 161, 124110 (2024)
DOI: 10.1063/5.0223371
