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Kevin Lively
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Nonadiabatic dynamics with quantum nuclei: Simulating charge transfer with ring polymer surface hopping
S Ghosh, S Giannini, K Lively, J Blumberger
Faraday Discussions 221, 501-525, 2020
312020
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
K Lively, G Albareda, SA Sato, A Kelly, A Rubio
The journal of physical chemistry letters 12 (12), 3074-3081, 2021
102021
Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies
K Lively, SA Sato, G Albareda, A Rubio, A Kelly
Physical Review Research 6 (1), 013069, 2024
32024
Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics
G Albareda, K Lively, SA Sato, A Kelly, A Rubio
Journal of Chemical Theory and Computation 17 (12), 7321-7340, 2021
22021
Robust Experimental Signatures of Phase Transitions in the Variational Quantum Eigensolver
K Lively, T Bode, J Szangolies, JX Zhu, B Fauseweh
arXiv preprint arXiv:2402.18953, 2024
2024
Efficient first principles computational approaches to non-equilibrium electron-ion dynamics in solids
K Lively
Universität Hamburg Hamburg, 2023
2023
Conditional wavefunction theory: a unified treatment of molecular structure and nonadiabatic dynamics
G Albareda Piquer, K Lively, S Sato, A Kelly, A Rubio
arXiv preprint arXiv:2107.01094, 2021
2021
Vibronic Spectra from First Principles: Capturing the Franck-Condon Effect without Born-Oppenheimer Surfaces
K Lively, A Kelly, S Sato, G Albareda, A Rubio
Bulletin of the American Physical Society, 2021
2021
Nonadiabatic Electron Nuclear Dynamics in TDDFT with Variational Quantum Nuclei
K Lively, G Albareda, A Kelly, S Sato, A Rubio
Bulletin of the American Physical Society 65, 2020
2020
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