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Physical Chemistry Chemical Physics : PCCP
|
March 25, 2016
Time-dependent density functional theory beyond Kohn-Sham Slater determinants
Johanna I Fuks, Søren E B Nielsen, Michael Ruggenthaler, et al.
The Journal of Chemical Physics
|
January 8, 2021
Case studies of the time-dependent potential energy surface for dynamics in cavities
Phillip Martinez, Bart Rosenzweig, Norah M Hoffmann, et al.
The Journal of Chemical Physics
|
May 17, 2014
Kinetic and interaction components of the exact time-dependent correlation potential
Kai Luo, Johanna I Fuks, Ernesto D Sandoval, et al.
Journal of Chemical Theory and Computation
|
October 18, 2023
Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics
Evaristo Villaseco Arribas, Lea M Ibele, David Lauvergnat, et al.
The Journal of Chemical Physics
|
March 2, 2015
The exact forces on classical nuclei in non-adiabatic charge transfer
Federica Agostini, Ali Abedi, Yasumitsu Suzuki, et al.
Journal of Chemical Theory and Computation
|
June 17, 2021
Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
Patricia Vindel-Zandbergen, Lea M Ibele, Jong-Kwon Ha, et al.
Journal of Chemical Theory and Computation
|
October 17, 2025
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Nicholas Bauman, Leonardo A Cunha, A Eugene DePrince, et al.
Faraday Discussions
|
November 27, 2020
New approaches to study excited states in density functional theory: general discussion
Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, et al.
The Journal of Physical Chemistry. A
|
July 15, 2025
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Andrew M Teale, Trygve Helgaker, Andreas Savin, et al.
Page
of 6
Search research articles
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Showing results (51-60 of 60) with videos related to
Sort By:
Page
of 6
You have reached the last page of results.
This site can display upto 60 results.
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2016
Time-dependent density functional theory beyond Kohn-Sham Slater determinants
Johanna I Fuks, Søren E B Nielsen, Michael Ruggenthaler, et al.
The Journal of Chemical Physics
|
January 8, 2021
Case studies of the time-dependent potential energy surface for dynamics in cavities
Phillip Martinez, Bart Rosenzweig, Norah M Hoffmann, et al.
The Journal of Chemical Physics
|
May 17, 2014
Kinetic and interaction components of the exact time-dependent correlation potential
Kai Luo, Johanna I Fuks, Ernesto D Sandoval, et al.
Journal of Chemical Theory and Computation
|
October 18, 2023
Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics
Evaristo Villaseco Arribas, Lea M Ibele, David Lauvergnat, et al.
The Journal of Chemical Physics
|
March 2, 2015
The exact forces on classical nuclei in non-adiabatic charge transfer
Federica Agostini, Ali Abedi, Yasumitsu Suzuki, et al.
Journal of Chemical Theory and Computation
|
June 17, 2021
Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
Patricia Vindel-Zandbergen, Lea M Ibele, Jong-Kwon Ha, et al.
Journal of Chemical Theory and Computation
|
October 17, 2025
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Nicholas Bauman, Leonardo A Cunha, A Eugene DePrince, et al.
Faraday Discussions
|
November 27, 2020
New approaches to study excited states in density functional theory: general discussion
Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, et al.
The Journal of Physical Chemistry. A
|
July 15, 2025
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Andrew M Teale, Trygve Helgaker, Andreas Savin, et al.
Page
of 6