Keyphrases
UV Absorption
100%
Ferrocene
100%
Electronic Hamiltonian
100%
Fock Matrix
100%
Boron Subphthalocyanine
100%
Nitrate
100%
Matrix Reconstruction
100%
Oscillator Strength
100%
Vibronic Coupling
100%
Density Functional Theory
100%
Time-dependent Density Functional Theory
86%
Absorption Properties
66%
First Order Term
40%
Gas Phase
40%
Electron Transport
33%
Organic Photovoltaics
33%
Molecular Orbital
33%
Generalized Gradient Approximation
33%
Molecular Triad
33%
Exchange-correlation Functionals
33%
Optical Properties
33%
Knowlegde
33%
Photoinduced Charge
33%
System-bath
33%
Charge-separated State
33%
BP86
33%
Nitrate Anion
20%
Environmentally Relevant
20%
Lower Order Terms
20%
Second Derivative
20%
Rare Example
20%
Aqueous Phase
20%
First-order
20%
Franck-Condon
20%
High-order
20%
Aug-cc-pVTZ
20%
Higher Symmetries
20%
Solvate
20%
Transition Dipole Moment
20%
Ground State Geometry
20%
Chemistry
Electron Transport
100%
Vibronic Coupling
100%
UV Absorption
100%
electronics
100%
Oscillator Strength
100%
Phonon
66%
Molecular Model
33%
Transfer Process
33%
Harmonic Oscillator
33%
Donor
33%
Ground State
20%
Dipole Moment
20%
Time-Dependent Density Functional Theory
20%
Normal Mode
20%
Physics
Oscillator Strength
100%
Phonon
100%
Transfer Process
50%
Antenna
50%
Vapor Phase
50%
Harmonic Oscillator
50%
Ground State
25%
Dipole Moment
25%
Time-Dependent Density Functional Theory
25%
