Configuration Interaction-Corrected Tamm–Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections

2014 ◽  
Vol 5 (2) ◽  
pp. 322-328 ◽  
Author(s):  
Shaohong L. Li ◽  
Aleksandr V. Marenich ◽  
Xuefei Xu ◽  
Donald G. Truhlar
Keyword(s):  
Configuration Interaction ◽  
Density Functional ◽  
Density Functional Method ◽  
Functional Method ◽  
Time Dependent ◽  
Conical Intersections ◽  
Dependent Density

A new time-dependent density-functional method for molecular plasmonics: Formalism, implementation, and the Au144(SH)60case study

2016 ◽  
Vol 116 (21) ◽  
pp. 1603-1611 ◽  
Author(s):  
Oscar Baseggio ◽  
Martina De Vetta ◽  
Giovanna Fronzoni ◽  
Mauro Stener ◽  
Alessandro Fortunelli
Keyword(s):  
Density Functional ◽  
Density Functional Method ◽  
Functional Method ◽  
Time Dependent ◽  
Dependent Density ◽  
New Time

4s to 5s and 4p photoexcitation dynamics of K atoms from the surface of helium nanodroplets: a theoretical study

2019 ◽  
Vol 21 (7) ◽  
pp. 3626-3636 ◽  
Author(s):  
Maxime Martinez ◽  
François Coppens ◽  
Manuel Barranco ◽  
Nadine Halberstadt ◽  
Martí Pi
Keyword(s):  
Superfluid Helium ◽  
Density Functional ◽  
Theoretical Study ◽  
Density Functional Method ◽  
Potassium Atom ◽  
Functional Method ◽  
Time Dependent ◽  
Spin Orbit ◽  
Helium Nanodroplets

We study the photodissociation of the potassium atom from a superfluid helium nanodroplet upon 5s 2S or 4p 2P excitation using the time-dependent helium density functional method (He-TDDFT). The results show possible K spin–orbit relaxation.

Sign in / Sign up

Export Citation Format

Share Document