Quantal density functional theory of excited states: Application to an exactly solvable model

2001 ◽  
Vol 85 (4-5) ◽  
pp. 436-448 ◽  
Author(s):  
Marlina Slamet ◽  
Viraht Sahni
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Solvable Model ◽  
Exactly Solvable Model ◽  
Functional Theory ◽  
Exactly Solvable ◽  
Quantal Density Functional Theory

scholarly journals Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽  
2021 ◽  
Author(s):  
Guanzhao Wen ◽  
Xianshao Zou ◽  
Rong Hu ◽  
Jun Peng ◽  
Zhifeng Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Steady State ◽  
Excited States ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Functional Theory ◽  
Time Resolved ◽  
Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

scholarly journals Modelling excited states of weakly bound complexes with density functional theory

2014 ◽  
Vol 16 (28) ◽  
pp. 14455-14462 ◽  
Author(s):  
Edward A. Briggs ◽  
Nicholas A. Besley
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Rydberg State ◽  
Dispersion Correction ◽  
Weakly Bound ◽  
Functional Theory ◽  
Weakly Bound Complexes

Different dispersion correction parameters are required to describe the interaction when the molecule is in an excited Rydberg state.

scholarly journals Corrigendum: Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?

ChemPhysChem ◽  
2014 ◽  
Vol 15 (18) ◽  
pp. 3892-3892
Author(s):  
Csaba Daday ◽  
Carolin König ◽  
Johannes Neugebauer ◽  
Claudia Filippi
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Functional Theory
Sign in / Sign up

Export Citation Format

Share Document