Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza… - The Journal of chemical …, 2009 - pubs.aip.org
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
Non-adiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza… - Journal of Chemical …, 2009 - infoscience.epfl.ch
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza… - Journal of Chemical …, 2009 - ui.adsabs.harvard.edu
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory.
I Tavernelli, E Tapavicza, U Rothlisberger - The Journal of chemical …, 2009 - sonar.ch
English A method is developed to compute the nonadiabatic coupling vectors (NACVs)
between electronic ground and excited states as well as between any possible pair of …
between electronic ground and excited states as well as between any possible pair of …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza… - The Journal of …, 2009 - pubmed.ncbi.nlm.nih.gov
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza… - The Journal of Chemical …, 2009 - pubs.aip.org
In the mixed-quantum-classical description of molecular systems, only the quantum
character of the electronic degrees of freedom are considered while the nuclear motion is …
character of the electronic degrees of freedom are considered while the nuclear motion is …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory.
I Tavernelli, E Tapavicza… - The Journal of Chemical …, 2009 - europepmc.org
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza, U Rothlisberger - Journal of Chemical Physics, 2009 - elibrary.ru
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between
electronic ground and excited states as well as between any possible pair of excited states …
electronic ground and excited states as well as between any possible pair of excited states …
[引用][C] Nonadiabatic coupling vectors within linear response time-dependent density functional theory
I Tavernelli, E Tapavicza, U Rothlisberger - The Journal of Chemical …, 2009 - cir.nii.ac.jp
Nonadiabatic coupling vectors within linear response time-dependent density functional
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