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The Journal of Physical Chemistry Letters
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February 16, 2022
Exact-Factorization-Based Surface Hopping for Multistate Dynamics
Patricia Vindel-Zandbergen, Spiridoula Matsika, Neepa T Maitra
The Journal of Chemical Physics
|
April 22, 2019
On the numerical solution of the exact factorization equations
Graeme H Gossel, Lionel Lacombe, Neepa T Maitra
Physical Review Letters
|
September 7, 2019
Exact Potential Energy Surface for Molecules in Cavities
Lionel Lacombe, Norah M Hoffmann, Neepa T Maitra
Physical Review Letters
|
September 13, 2024
Reformulation of Time-Dependent Density Functional Theory for Nonperturbative Dynamics: The Rabi Oscillation Problem Resolved
Davood B Dar, Anna Baranova, Neepa T Maitra
Journal of Chemical Theory and Computation
|
August 1, 2018
Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction
Graeme H Gossel, Federica Agostini, Neepa T Maitra
The Journal of Chemical Physics
|
February 4, 2024
Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states
Evaristo Villaseco Arribas, Neepa T Maitra, Federica Agostini
The Journal of Chemical Physics
|
September 7, 2013
Response to "Comment on 'Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction"' [J. Chem. Phys. 139, 087101 (2013)]
Ali Abedi, Neepa T Maitra, E K U Gross
Physical Review Letters
|
January 13, 2018
Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes
Yasumitsu Suzuki, Lionel Lacombe, Kazuyuki Watanabe, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model
David G Tempel, Todd J Martínez, Neepa T Maitra
The Journal of Chemical Physics
|
December 20, 2012
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction
Ali Abedi, Neepa T Maitra, E K U Gross
Page
of 6
Search research articles
Search
Showing results (31-40 of 60) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry Letters
|
February 16, 2022
Exact-Factorization-Based Surface Hopping for Multistate Dynamics
Patricia Vindel-Zandbergen, Spiridoula Matsika, Neepa T Maitra
The Journal of Chemical Physics
|
April 22, 2019
On the numerical solution of the exact factorization equations
Graeme H Gossel, Lionel Lacombe, Neepa T Maitra
Physical Review Letters
|
September 7, 2019
Exact Potential Energy Surface for Molecules in Cavities
Lionel Lacombe, Norah M Hoffmann, Neepa T Maitra
Physical Review Letters
|
September 13, 2024
Reformulation of Time-Dependent Density Functional Theory for Nonperturbative Dynamics: The Rabi Oscillation Problem Resolved
Davood B Dar, Anna Baranova, Neepa T Maitra
Journal of Chemical Theory and Computation
|
August 1, 2018
Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction
Graeme H Gossel, Federica Agostini, Neepa T Maitra
The Journal of Chemical Physics
|
February 4, 2024
Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states
Evaristo Villaseco Arribas, Neepa T Maitra, Federica Agostini
The Journal of Chemical Physics
|
September 7, 2013
Response to "Comment on 'Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction"' [J. Chem. Phys. 139, 087101 (2013)]
Ali Abedi, Neepa T Maitra, E K U Gross
Physical Review Letters
|
January 13, 2018
Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes
Yasumitsu Suzuki, Lionel Lacombe, Kazuyuki Watanabe, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model
David G Tempel, Todd J Martínez, Neepa T Maitra
The Journal of Chemical Physics
|
December 20, 2012
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction
Ali Abedi, Neepa T Maitra, E K U Gross
Page
of 6