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The Journal of Chemical Physics
|
November 15, 2022
The parallel-transported (quasi)-diabatic basis
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
March 19, 2024
Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
March 15, 2023
Representation and conservation of angular momentum in the Born-Oppenheimer theory of polyatomic molecules
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
January 11, 2024
Linear and angular momentum conservation in surface hopping methods
Yanze Wu, Jonathan Rawlinson, Robert G Littlejohn, et al.
The Journal of Physical Chemistry Letters
|
August 4, 2022
Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method
Xuezhi Bian, Yanze Wu, Jonathan Rawlinson, et al.
Journal of Chemical Theory and Computation
|
September 26, 2025
Recovering Exact Vibrational Energies within a Phase Space Electronic Structure Framework
Xinchun Wu, Xuezhi Bian, Jonathan Rawlinson, et al.
The Journal of Physical Chemistry. A
|
May 12, 2025
A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals
Mansi Bhati, Zhen Tao, Xuezhi Bian, et al.
The Journal of Physical Chemistry. A
|
May 12, 2025
A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field. I: Conservation of Total Pseudomomentum and Angular Momentum
Mansi Bhati, Zhen Tao, Xuezhi Bian, et al.
Journal of Chemical Theory and Computation
|
July 31, 2025
Correction to "A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework"
Xuezhi Bian, Cameron Khan, Titouan Duston, et al.
Journal of Chemical Theory and Computation
|
March 12, 2025
A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework
Xuezhi Bian, Cameron Khan, Titouan Duston, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
November 15, 2022
The parallel-transported (quasi)-diabatic basis
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
March 19, 2024
Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
March 15, 2023
Representation and conservation of angular momentum in the Born-Oppenheimer theory of polyatomic molecules
Robert Littlejohn, Jonathan Rawlinson, Joseph Subotnik
The Journal of Chemical Physics
|
January 11, 2024
Linear and angular momentum conservation in surface hopping methods
Yanze Wu, Jonathan Rawlinson, Robert G Littlejohn, et al.
The Journal of Physical Chemistry Letters
|
August 4, 2022
Modeling Spin-Dependent Nonadiabatic Dynamics with Electronic Degeneracy: A Phase-Space Surface-Hopping Method
Xuezhi Bian, Yanze Wu, Jonathan Rawlinson, et al.
Journal of Chemical Theory and Computation
|
September 26, 2025
Recovering Exact Vibrational Energies within a Phase Space Electronic Structure Framework
Xinchun Wu, Xuezhi Bian, Jonathan Rawlinson, et al.
The Journal of Physical Chemistry. A
|
May 12, 2025
A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals
Mansi Bhati, Zhen Tao, Xuezhi Bian, et al.
The Journal of Physical Chemistry. A
|
May 12, 2025
A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field. I: Conservation of Total Pseudomomentum and Angular Momentum
Mansi Bhati, Zhen Tao, Xuezhi Bian, et al.
Journal of Chemical Theory and Computation
|
July 31, 2025
Correction to "A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework"
Xuezhi Bian, Cameron Khan, Titouan Duston, et al.
Journal of Chemical Theory and Computation
|
March 12, 2025
A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework
Xuezhi Bian, Cameron Khan, Titouan Duston, et al.
Page
of 2