18 citations · 24 across the 4 of their papers we have counts for
4 papers
Spectroscopic photorelaxation signatures in pyrazine from nonadiabatic dynamics simulations with coupled cluster theory
Sara Angelico, Eirik F. Kjønstad, Yi-Ping Chang +3
Despite extensive theoretical and experimental efforts, the mechanisms underlying the ultrafast relaxation of pyrazine after photoexcitation remain challenging to disentangle. Rece…
Attosecond Probing of Coherent Vibrational Dynamics in CBr
Jen-Hao Ou, Diptarka Hait, Patrick Rupprecht +3
A coherent vibrational wavepacket is launched and manipulated in the symmetric stretch (a) mode of CBr, by impulsive stimulated Raman scattering from non-resonant 400 nm la…
Extending GPU-Accelerated Gaussian Integrals in the TeraChem Software Package to f Type Orbitals: Implementation and Applications
Yuanheng Wang, Diptarka Hait, K. Grace Johnson +4
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kerne…
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
Eirik F. Kjønstad, O. Jonathan Fajen, Alexander C. Paul +6
The fate of thymine upon excitation by ultraviolet radiation has been the subject of intense debate over the past three decades. Today, it is widely believed that its ultrafast exc…