21 citations · 21 across the 3 of their papers we have counts for
7 papers
Analysis of multi-configuration Kohn-Sham methods
Yair Kurzweil, M. Head-Gordon
We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to t…
Adapting approximate memory potentials for time-dependent density functional theory
Yair Kurzweil, Roi Baer
Frequency dependent exchange correlation kernels for time-dependent density functional theory can be used to construct approximate exchange-correlation potentials. The resulting po…
Quantum memory effects on the dynamics of electrons in gold clusters
Yair Kurzweil, Roi Baer
Electron dynamics in metallic clusters are examined using a time-dependent density functional theory that in-cludes a "memory term", i.e. attempts to describe temporal non-local co…
Quantum memory effects on the dynamics of electrons in small gold clusters
Yair Kurzweil, Roi Baer
Electron dynamics in metallic clusters are examined using a time-dependent density functional theory that includes a 'memory term', i.e. attempts to describe temporal non-local cor…
Generic Galilean invariant exchange correlation functionals with quantum memory
Yair Kurzweil, Roi Baer
Today, most application of time-dependent density functional theory (TDDFT) use adiabatic exchange-correlation (XC) potentials that do not take into account non-local temporal effe…
Galilean invariant exchange correlation functionals with quantum memory
Yair Kurzweil, Roi Baer
Today, most application of time-dependent density functional theory (TDDFT) use adiabatic exchange-correlation (XC) potentials that do not take into account non-local temporal effe…