12 citations · 25 across the 8 of their papers we have counts for
8 papers
Post-pulse dipole instability in adiabatic TDDFT: fact or artifact?
Davood B. Dar, Dhyey Ray, Neepa T. Maitra
Recent real-time TDDFT calculations have reported an unexpected delayed growth of molecular dipole oscillations some time after an extreme-ultraviolet (XUV) pulse is applied. We sh…
Harnessing dressed time-dependent density functional theory for the non-perturbative regime: Electron dynamics with double excitations
Dhyey Ray, Anna Baranova, Davood B. Dar +1
Recent progress has been made in capturing spectral features of electronic states of double-excitation character in time-dependent density functional theory (TDDFT) through a frequ…
Capturing the elusive curve-crossing in low-lying states of butadiene with dressed TDDFT
Davood B. Dar, Neepa T. Maitra
A striking example of the need to accurately capture states of double-excitation character in molecules is seen in predicting photo-induced dynamics in small polyenes. Due to the c…
Reformulation of Time-Dependent Density Functional Theory for Non-Perturbative Dynamics: The Rabi Oscillation Problem Resolved
Davood B. Dar, Anna Baranova, Neepa T. Maitra
Rabi oscillations have long been thought to be out of reach in simulations using time-dependent density functional theory (TDDFT), a prominent symptom of the failure of the adiabat…
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
Davood B. Dar, Neepa T. Maitra
Although useful to extract excitation energies of states of double-excitation character in time-dependent density functional theory that are missing in the adiabatic approximation,…
Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory
Davood Dar, Saswata Roy, Neepa T. Maitra
The adiabatic approximation in time-dependent density functional theory (TDDFT) is known to give an incorrect pole structure in the quadratic response function, leading to unphysic…
The Exact Exchange-Correlation Potential in Time-Dependent Density Functional Theory: Choreographing Electrons with Steps and Peaks
Davood Dar, Lionel Lacombe, Neepa T. Maitra
The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true in…
Exact time-dependent density functional theory for non-perturbative dynamics of helium atom
Davood Dar, Lionel Lacombe, Johannes Feist +1
By inverting the time-dependent Kohn-Sham equation for a numerically exact dynamics of the helium atom, we show that the dynamical step and peak features of the exact correlation p…