Jonathan Rawlinson
- Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics
2024/01/25 by Zhen Tao, Tao, Zhen, Tian Qiu +13 · 4 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Quantum, superfluid, helium dynamics
- A phase-space view of vibrational energies without the Born-Oppenheimer framework
2024/07/27 by Xuezhi Bian, Cameron Khan, Bian, Xuezhi +9 · 3 citations
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Cosmology and Gravitation Theories #FOS: Physical sciences #Quantum Mechanics and Applications #Quantum Physics (quant-ph) #Quantum, superfluid, helium dynamics
- Total Angular Momentum Conservation in Ehrenfest Dynamics with a Truncated Basis of Adiabatic States
2023/11/28 by Zhen Tao, Tao, Zhen, Xuezhi Bian +9 · 2 citations
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies
- Symmetry Breaking as Predicted by a Phase Space Hamiltonian with a Spin Coriolis Potential
2025/04/04 by Nadine C. Bradbury, Bradbury, Nadine C., Titouan Duston +9 · 4 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Organic and Molecular Conductors Research #Quantum, superfluid, helium dynamics
- Linear and Angular Momentum Conservation in Surface Hopping Methods
2023/11/28 by Yanze Wu, Jonathan Rawlinson, Wu, Yanze +5 · 1 citation
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena
- A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals
2024/11/21 by Mansi Bhati, Zhen Tao, Bhati, Mansi +9 · 2 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Magnetism in coordination complexes