Publications (23)
Exponential convergence of the local diabatic representation for nonadiabatic models
Mo Sha, Bing Gu
The discrete variable local diabatic representation (LDR) provides a divergence-free framework for exact conical intersection dynamics simulation. In this work, we investigate the…
Local diabatic representation of conical intersection quantum dynamics
Bing Gu
Conical intersections are ubiquitous in polyatomic molecules and responsible for a wide range of phenomena in chemistry and physics. We introduce and implement a local diabatic rep…
Floquet theory and computational method for the optical absorption of laser-dressed solids
Vishal Tiwari, Bing Gu, Ignacio Franco
Recent advances in laser technology now enable engineering the electronic structure of matter through strong light-matter interactions. However, the effective physicochemical prope…
Optical Forces of Focused Ultrafast Laser Pulses on Nonlinear Optical Rayleigh Particles
Liping Gong, Bing Gu, Guanghao Rui +3
The principle of optical trapping is conventionally based on the interaction of optical fields with linear induced polarizations. However, the optical force originating from the no…
Constrained Optimization Algorithms for Orbital Optimization in Quantum Chemistry
Junzhe Zhang, Shuoyi Hu, Bing Gu
We present a modular constrained-orbital-optimization framework for quantum chemistry. The formulation separates the correlated electronic-structure solver from the orbital optimiz…
Toward collective chemistry by strong light-matter coupling
Bing Gu
Strong light-matter coupling provides a versatile and novel means to manipulate chemical processes. Here we develop a theoretical framework to investigate the spectroscopy and dyna…